################################### # 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 17759 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '3D HNCO' . . . 17759 1 3 '3D CBCA(CO)NH' . . . 17759 1 4 '3D HNCACB' . . . 17759 1 5 '3D HN(CA)CO' . . . 17759 1 6 '3D HNN' . . . 17759 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 3 3 VAL H H 1 8.347 0.05 . 1 . . . . 121 VAL H . 17759 1 2 . 1 1 3 3 VAL C C 13 172.184 0.2 . 1 . . . . 121 VAL C . 17759 1 3 . 1 1 3 3 VAL CA C 13 62.574 0.2 . 1 . . . . 121 VAL CA . 17759 1 4 . 1 1 3 3 VAL CB C 13 32.778 0.2 . 1 . . . . 121 VAL CB . 17759 1 5 . 1 1 4 4 VAL H H 1 8.215 0.05 . 1 . . . . 122 VAL H . 17759 1 6 . 1 1 4 4 VAL C C 13 172.556 0.2 . 1 . . . . 122 VAL C . 17759 1 7 . 1 1 4 4 VAL CA C 13 62.623 0.2 . 1 . . . . 122 VAL CA . 17759 1 8 . 1 1 4 4 VAL CB C 13 32.667 0.2 . 1 . . . . 122 VAL CB . 17759 1 9 . 1 1 5 5 GLY H H 1 8.431 0.05 . 1 . . . . 123 GLY H . 17759 1 10 . 1 1 5 5 GLY C C 13 170.422 0.2 . 1 . . . . 123 GLY C . 17759 1 11 . 1 1 5 5 GLY CA C 13 45.28 0.2 . 1 . . . . 123 GLY CA . 17759 1 12 . 1 1 6 6 GLY H H 1 8.226 0.05 . 1 . . . . 124 GLY H . 17759 1 13 . 1 1 6 6 GLY C C 13 170.186 0.2 . 1 . . . . 124 GLY C . 17759 1 14 . 1 1 6 6 GLY CA C 13 45.274 0.2 . 1 . . . . 124 GLY CA . 17759 1 15 . 1 1 7 7 LEU H H 1 8.26 0.05 . 1 . . . . 125 LEU H . 17759 1 16 . 1 1 7 7 LEU C C 13 173.968 0.2 . 1 . . . . 125 LEU C . 17759 1 17 . 1 1 7 7 LEU CA C 13 55.481 0.2 . 1 . . . . 125 LEU CA . 17759 1 18 . 1 1 7 7 LEU CB C 13 42.49 0.2 . 1 . . . . 125 LEU CB . 17759 1 19 . 1 1 8 8 GLY H H 1 8.46 0.05 . 1 . . . . 126 GLY H . 17759 1 20 . 1 1 8 8 GLY C C 13 170.446 0.2 . 1 . . . . 126 GLY C . 17759 1 21 . 1 1 8 8 GLY CA C 13 45.359 0.2 . 1 . . . . 126 GLY CA . 17759 1 22 . 1 1 9 9 GLY H H 1 8.209 0.05 . 1 . . . . 127 GLY H . 17759 1 23 . 1 1 9 9 GLY C C 13 169.802 0.2 . 1 . . . . 127 GLY C . 17759 1 24 . 1 1 9 9 GLY CA C 13 45.274 0.2 . 1 . . . . 127 GLY CA . 17759 1 25 . 1 1 10 10 TYR H H 1 8.153 0.05 . 1 . . . . 128 TYR H . 17759 1 26 . 1 1 10 10 TYR C C 13 171.91 0.2 . 1 . . . . 128 TYR C . 17759 1 27 . 1 1 10 10 TYR CA C 13 58.317 0.2 . 1 . . . . 128 TYR CA . 17759 1 28 . 1 1 10 10 TYR CB C 13 38.804 0.2 . 1 . . . . 128 TYR CB . 17759 1 29 . 1 1 11 11 MET H H 1 8.599 0.05 . 1 . . . . 129 MET H . 17759 1 30 . 1 1 11 11 MET C C 13 169.931 0.2 . 1 . . . . 129 MET C . 17759 1 31 . 1 1 11 11 MET CA C 13 54.255 0.2 . 1 . . . . 129 MET CA . 17759 1 32 . 1 1 11 11 MET CB C 13 28.287 0.2 . 1 . . . . 129 MET CB . 17759 1 33 . 1 1 12 12 LEU H H 1 8.395 0.05 . 1 . . . . 130 LEU H . 17759 1 34 . 1 1 12 12 LEU C C 13 173.715 0.2 . 1 . . . . 130 LEU C . 17759 1 35 . 1 1 12 12 LEU CA C 13 55.56 0.2 . 1 . . . . 130 LEU CA . 17759 1 36 . 1 1 12 12 LEU CB C 13 42.557 0.2 . 1 . . . . 130 LEU CB . 17759 1 37 . 1 1 13 13 GLY H H 1 8.505 0.05 . 1 . . . . 131 GLY H . 17759 1 38 . 1 1 13 13 GLY C C 13 169.977 0.2 . 1 . . . . 131 GLY C . 17759 1 39 . 1 1 13 13 GLY CA C 13 45.27 0.2 . 1 . . . . 131 GLY CA . 17759 1 40 . 1 1 14 14 SER H H 1 8.242 0.05 . 1 . . . . 132 SER H . 17759 1 41 . 1 1 14 14 SER C C 13 170.546 0.2 . 1 . . . . 132 SER C . 17759 1 42 . 1 1 14 14 SER CA C 13 58.359 0.2 . 1 . . . . 132 SER CA . 17759 1 43 . 1 1 14 14 SER CB C 13 64.301 0.2 . 1 . . . . 132 SER CB . 17759 1 44 . 1 1 15 15 ALA H H 1 8.457 0.05 . 1 . . . . 133 ALA H . 17759 1 45 . 1 1 15 15 ALA C C 13 173.86 0.2 . 1 . . . . 133 ALA C . 17759 1 46 . 1 1 15 15 ALA CA C 13 52.806 0.2 . 1 . . . . 133 ALA CA . 17759 1 47 . 1 1 15 15 ALA CB C 13 19.058 0.2 . 1 . . . . 133 ALA CB . 17759 1 48 . 1 1 16 16 MET H H 1 8.586 0.05 . 1 . . . . 134 MET H . 17759 1 49 . 1 1 16 16 MET C C 13 170.479 0.2 . 1 . . . . 134 MET C . 17759 1 50 . 1 1 16 16 MET CA C 13 54.556 0.2 . 1 . . . . 134 MET CA . 17759 1 51 . 1 1 16 16 MET CB C 13 28.41 0.2 . 1 . . . . 134 MET CB . 17759 1 52 . 1 1 17 17 SER H H 1 8.43 0.05 . 1 . . . . 135 SER H . 17759 1 53 . 1 1 17 17 SER C C 13 169.984 0.2 . 1 . . . . 135 SER C . 17759 1 54 . 1 1 17 17 SER CA C 13 58.409 0.2 . 1 . . . . 135 SER CA . 17759 1 55 . 1 1 17 17 SER CB C 13 64.274 0.2 . 1 . . . . 135 SER CB . 17759 1 56 . 1 1 18 18 ARG H H 1 8.514 0.05 . 1 . . . . 136 ARG H . 17759 1 57 . 1 1 18 18 ARG C C 13 170.118 0.2 . 1 . . . . 136 ARG C . 17759 1 58 . 1 1 18 18 ARG CA C 13 54.232 0.2 . 1 . . . . 136 ARG CA . 17759 1 59 . 1 1 18 18 ARG CB C 13 30.176 0.2 . 1 . . . . 136 ARG CB . 17759 1 60 . 1 1 19 19 PRO C C 13 172.797 0.2 . 1 . . . . 137 PRO C . 17759 1 61 . 1 1 19 19 PRO CA C 13 63.261 0.2 . 1 . . . . 137 PRO CA . 17759 1 62 . 1 1 19 19 PRO CB C 13 32.075 0.2 . 1 . . . . 137 PRO CB . 17759 1 63 . 1 1 20 20 MET H H 1 8.778 0.05 . 1 . . . . 138 MET H . 17759 1 64 . 1 1 20 20 MET C C 13 170.329 0.2 . 1 . . . . 138 MET C . 17759 1 65 . 1 1 20 20 MET CA C 13 54.311 0.2 . 1 . . . . 138 MET CA . 17759 1 66 . 1 1 20 20 MET CB C 13 28.268 0.2 . 1 . . . . 138 MET CB . 17759 1 67 . 1 1 21 21 ILE H H 1 8.303 0.05 . 1 . . . . 139 ILE H . 17759 1 68 . 1 1 21 21 ILE C C 13 171.546 0.2 . 1 . . . . 139 ILE C . 17759 1 69 . 1 1 21 21 ILE CA C 13 61.228 0.2 . 1 . . . . 139 ILE CA . 17759 1 70 . 1 1 21 21 ILE CB C 13 38.927 0.2 . 1 . . . . 139 ILE CB . 17759 1 71 . 1 1 22 22 HIS H H 1 8.549 0.05 . 1 . . . . 140 HIS H . 17759 1 72 . 1 1 22 22 HIS C C 13 169.747 0.2 . 1 . . . . 140 HIS C . 17759 1 73 . 1 1 22 22 HIS CA C 13 54.929 0.2 . 1 . . . . 140 HIS CA . 17759 1 74 . 1 1 22 22 HIS CB C 13 29.185 0.2 . 1 . . . . 140 HIS CB . 17759 1 75 . 1 1 23 23 PHE H H 1 8.449 0.05 . 1 . . . . 141 PHE H . 17759 1 76 . 1 1 23 23 PHE C C 13 171.963 0.2 . 1 . . . . 141 PHE C . 17759 1 77 . 1 1 23 23 PHE CA C 13 58.014 0.2 . 1 . . . . 141 PHE CA . 17759 1 78 . 1 1 23 23 PHE CB C 13 39.939 0.2 . 1 . . . . 141 PHE CB . 17759 1 79 . 1 1 24 24 GLY H H 1 8.424 0.05 . 1 . . . . 142 GLY H . 17759 1 80 . 1 1 24 24 GLY C C 13 169.592 0.2 . 1 . . . . 142 GLY C . 17759 1 81 . 1 1 24 24 GLY CA C 13 45.231 0.2 . 1 . . . . 142 GLY CA . 17759 1 82 . 1 1 25 25 ASN H H 1 8.355 0.05 . 1 . . . . 143 ASN H . 17759 1 83 . 1 1 25 25 ASN C C 13 171.223 0.2 . 1 . . . . 143 ASN C . 17759 1 84 . 1 1 25 25 ASN CA C 13 53.315 0.2 . 1 . . . . 143 ASN CA . 17759 1 85 . 1 1 25 25 ASN CB C 13 38.857 0.2 . 1 . . . . 143 ASN CB . 17759 1 86 . 1 1 26 26 ASP H H 1 8.498 0.05 . 1 . . . . 144 ASP H . 17759 1 87 . 1 1 26 26 ASP C C 13 171.099 0.2 . 1 . . . . 144 ASP C . 17759 1 88 . 1 1 26 26 ASP CA C 13 53.12 0.2 . 1 . . . . 144 ASP CA . 17759 1 89 . 1 1 26 26 ASP CB C 13 37.775 0.2 . 1 . . . . 144 ASP CB . 17759 1 90 . 1 1 27 27 TRP H H 1 8.047 0.05 . 1 . . . . 145 TRP H . 17759 1 91 . 1 1 27 27 TRP C C 13 172.373 0.2 . 1 . . . . 145 TRP C . 17759 1 92 . 1 1 27 27 TRP CA C 13 58.038 0.2 . 1 . . . . 145 TRP CA . 17759 1 93 . 1 1 27 27 TRP CB C 13 29.137 0.2 . 1 . . . . 145 TRP CB . 17759 1 94 . 1 1 28 28 GLU H H 1 8.021 0.05 . 1 . . . . 146 GLU H . 17759 1 95 . 1 1 28 28 GLU C C 13 171.677 0.2 . 1 . . . . 146 GLU C . 17759 1 96 . 1 1 28 28 GLU CA C 13 56.452 0.2 . 1 . . . . 146 GLU CA . 17759 1 97 . 1 1 28 28 GLU CB C 13 28.545 0.2 . 1 . . . . 146 GLU CB . 17759 1 98 . 1 1 29 29 ASP H H 1 8.193 0.05 . 1 . . . . 147 ASP H . 17759 1 99 . 1 1 29 29 ASP C C 13 171.021 0.2 . 1 . . . . 147 ASP C . 17759 1 100 . 1 1 29 29 ASP CA C 13 53.053 0.2 . 1 . . . . 147 ASP CA . 17759 1 101 . 1 1 29 29 ASP CB C 13 37.99 0.2 . 1 . . . . 147 ASP CB . 17759 1 102 . 1 1 30 30 ARG H H 1 8.099 0.05 . 1 . . . . 148 ARG H . 17759 1 103 . 1 1 30 30 ARG C C 13 171.701 0.2 . 1 . . . . 148 ARG C . 17759 1 104 . 1 1 30 30 ARG CA C 13 56.811 0.2 . 1 . . . . 148 ARG CA . 17759 1 105 . 1 1 30 30 ARG CB C 13 30.575 0.2 . 1 . . . . 148 ARG CB . 17759 1 106 . 1 1 31 31 TYR H H 1 8.047 0.05 . 1 . . . . 149 TYR H . 17759 1 107 . 1 1 31 31 TYR C C 13 171.427 0.2 . 1 . . . . 149 TYR C . 17759 1 108 . 1 1 31 31 TYR CA C 13 58.125 0.2 . 1 . . . . 149 TYR CA . 17759 1 109 . 1 1 31 31 TYR CB C 13 38.747 0.2 . 1 . . . . 149 TYR CB . 17759 1 110 . 1 1 32 32 TYR H H 1 8.035 0.05 . 1 . . . . 150 TYR H . 17759 1 111 . 1 1 32 32 TYR C C 13 171.413 0.2 . 1 . . . . 150 TYR C . 17759 1 112 . 1 1 32 32 TYR CA C 13 58.159 0.2 . 1 . . . . 150 TYR CA . 17759 1 113 . 1 1 32 32 TYR CB C 13 38.888 0.2 . 1 . . . . 150 TYR CB . 17759 1 114 . 1 1 33 33 ARG H H 1 8.233 0.05 . 1 . . . . 151 ARG H . 17759 1 115 . 1 1 33 33 ARG C C 13 171.856 0.2 . 1 . . . . 151 ARG C . 17759 1 116 . 1 1 33 33 ARG CA C 13 56.156 0.2 . 1 . . . . 151 ARG CA . 17759 1 117 . 1 1 33 33 ARG CB C 13 30.84 0.2 . 1 . . . . 151 ARG CB . 17759 1 118 . 1 1 34 34 GLU H H 1 8.287 0.05 . 1 . . . . 152 GLU H . 17759 1 119 . 1 1 34 34 GLU C C 13 171.766 0.2 . 1 . . . . 152 GLU C . 17759 1 120 . 1 1 34 34 GLU CA C 13 55.83 0.2 . 1 . . . . 152 GLU CA . 17759 1 121 . 1 1 34 34 GLU CB C 13 28.77 0.2 . 1 . . . . 152 GLU CB . 17759 1 122 . 1 1 35 35 ASN H H 1 8.495 0.05 . 1 . . . . 153 ASN H . 17759 1 123 . 1 1 35 35 ASN C C 13 171.244 0.2 . 1 . . . . 153 ASN C . 17759 1 124 . 1 1 35 35 ASN CA C 13 53.548 0.2 . 1 . . . . 153 ASN CA . 17759 1 125 . 1 1 35 35 ASN CB C 13 38.829 0.2 . 1 . . . . 153 ASN CB . 17759 1 126 . 1 1 36 36 MET H H 1 8.556 0.05 . 1 . . . . 154 MET H . 17759 1 127 . 1 1 36 36 MET C C 13 169.907 0.2 . 1 . . . . 154 MET C . 17759 1 128 . 1 1 36 36 MET CA C 13 54.629 0.2 . 1 . . . . 154 MET CA . 17759 1 129 . 1 1 36 36 MET CB C 13 28.22 0.2 . 1 . . . . 154 MET CB . 17759 1 130 . 1 1 40 40 PRO C C 13 172.466 0.2 . 1 . . . . 158 PRO C . 17759 1 131 . 1 1 41 41 ASN H H 1 8.438 0.05 . 1 . . . . 159 ASN H . 17759 1 132 . 1 1 41 41 ASN C C 13 171.085 0.2 . 1 . . . . 159 ASN C . 17759 1 133 . 1 1 41 41 ASN CA C 13 53.597 0.2 . 1 . . . . 159 ASN CA . 17759 1 134 . 1 1 41 41 ASN CB C 13 38.673 0.2 . 1 . . . . 159 ASN CB . 17759 1 135 . 1 1 42 42 GLN H H 1 8.268 0.05 . 1 . . . . 160 GLN H . 17759 1 136 . 1 1 42 42 GLN C C 13 171.396 0.2 . 1 . . . . 160 GLN C . 17759 1 137 . 1 1 42 42 GLN CA C 13 55.917 0.2 . 1 . . . . 160 GLN CA . 17759 1 138 . 1 1 42 42 GLN CB C 13 29.662 0.2 . 1 . . . . 160 GLN CB . 17759 1 139 . 1 1 43 43 VAL H H 1 8.101 0.05 . 1 . . . . 161 VAL H . 17759 1 140 . 1 1 43 43 VAL C C 13 171.379 0.2 . 1 . . . . 161 VAL C . 17759 1 141 . 1 1 43 43 VAL CA C 13 62.499 0.2 . 1 . . . . 161 VAL CA . 17759 1 142 . 1 1 43 43 VAL CB C 13 32.836 0.2 . 1 . . . . 161 VAL CB . 17759 1 143 . 1 1 44 44 TYR H H 1 8.221 0.05 . 1 . . . . 162 TYR H . 17759 1 144 . 1 1 44 44 TYR C C 13 171.043 0.2 . 1 . . . . 162 TYR C . 17759 1 145 . 1 1 44 44 TYR CA C 13 57.686 0.2 . 1 . . . . 162 TYR CA . 17759 1 146 . 1 1 44 44 TYR CB C 13 39.142 0.2 . 1 . . . . 162 TYR CB . 17759 1 147 . 1 1 45 45 TYR H H 1 8.19 0.05 . 1 . . . . 163 TYR H . 17759 1 148 . 1 1 45 45 TYR C C 13 170.806 0.2 . 1 . . . . 163 TYR C . 17759 1 149 . 1 1 45 45 TYR CA C 13 57.736 0.2 . 1 . . . . 163 TYR CA . 17759 1 150 . 1 1 45 45 TYR CB C 13 39.155 0.2 . 1 . . . . 163 TYR CB . 17759 1 151 . 1 1 46 46 ARG H H 1 8.204 0.05 . 1 . . . . 164 ARG H . 17759 1 152 . 1 1 46 46 ARG C C 13 171.282 0.2 . 1 . . . . 164 ARG C . 17759 1 153 . 1 1 46 46 ARG CA C 13 55.786 0.2 . 1 . . . . 164 ARG CA . 17759 1 154 . 1 1 46 46 ARG CB C 13 31.162 0.2 . 1 . . . . 164 ARG CB . 17759 1 155 . 1 1 47 47 PRO C C 13 172.675 0.2 . 1 . . . . 165 PRO C . 17759 1 156 . 1 1 48 48 VAL H H 1 8.226 0.05 . 1 . . . . 166 VAL H . 17759 1 157 . 1 1 48 48 VAL C C 13 171.964 0.2 . 1 . . . . 166 VAL C . 17759 1 158 . 1 1 48 48 VAL CA C 13 62.731 0.2 . 1 . . . . 166 VAL CA . 17759 1 159 . 1 1 48 48 VAL CB C 13 32.586 0.2 . 1 . . . . 166 VAL CB . 17759 1 160 . 1 1 49 49 ASP H H 1 8.517 0.05 . 1 . . . . 167 ASP H . 17759 1 161 . 1 1 49 49 ASP C C 13 170.85 0.2 . 1 . . . . 167 ASP C . 17759 1 162 . 1 1 49 49 ASP CA C 13 52.733 0.2 . 1 . . . . 167 ASP CA . 17759 1 163 . 1 1 49 49 ASP CB C 13 38.138 0.2 . 1 . . . . 167 ASP CB . 17759 1 164 . 1 1 50 50 GLN H H 1 8.384 0.05 . 1 . . . . 168 GLN H . 17759 1 165 . 1 1 50 50 GLN C C 13 171.437 0.2 . 1 . . . . 168 GLN C . 17759 1 166 . 1 1 50 50 GLN CA C 13 56.282 0.2 . 1 . . . . 168 GLN CA . 17759 1 167 . 1 1 50 50 GLN CB C 13 29.348 0.2 . 1 . . . . 168 GLN CB . 17759 1 168 . 1 1 51 51 TYR H H 1 8.167 0.05 . 1 . . . . 169 TYR H . 17759 1 169 . 1 1 51 51 TYR C C 13 171.805 0.2 . 1 . . . . 169 TYR C . 17759 1 170 . 1 1 51 51 TYR CA C 13 58.024 0.2 . 1 . . . . 169 TYR CA . 17759 1 171 . 1 1 51 51 TYR CB C 13 38.673 0.2 . 1 . . . . 169 TYR CB . 17759 1 172 . 1 1 52 52 SER H H 1 8.21 0.05 . 1 . . . . 170 SER H . 17759 1 173 . 1 1 52 52 SER C C 13 170.209 0.2 . 1 . . . . 170 SER C . 17759 1 174 . 1 1 52 52 SER CA C 13 58.258 0.2 . 1 . . . . 170 SER CA . 17759 1 175 . 1 1 52 52 SER CB C 13 64.185 0.2 . 1 . . . . 170 SER CB . 17759 1 176 . 1 1 53 53 ASN H H 1 8.485 0.05 . 1 . . . . 171 ASN H . 17759 1 177 . 1 1 53 53 ASN C C 13 170.207 0.2 . 1 . . . . 171 ASN C . 17759 1 178 . 1 1 53 53 ASN CA C 13 53.207 0.2 . 1 . . . . 171 ASN CA . 17759 1 179 . 1 1 53 53 ASN CB C 13 38.42 0.2 . 1 . . . . 171 ASN CB . 17759 1 180 . 1 1 54 54 GLN H H 1 8.349 0.05 . 1 . . . . 172 GLN H . 17759 1 181 . 1 1 54 54 GLN C C 13 171.673 0.2 . 1 . . . . 172 GLN C . 17759 1 182 . 1 1 54 54 GLN CA C 13 56.362 0.2 . 1 . . . . 172 GLN CA . 17759 1 183 . 1 1 54 54 GLN CB C 13 29.222 0.2 . 1 . . . . 172 GLN CB . 17759 1 184 . 1 1 55 55 ASN H H 1 8.413 0.05 . 1 . . . . 173 ASN H . 17759 1 185 . 1 1 55 55 ASN C C 13 170.818 0.2 . 1 . . . . 173 ASN C . 17759 1 186 . 1 1 55 55 ASN CA C 13 53.392 0.2 . 1 . . . . 173 ASN CA . 17759 1 187 . 1 1 55 55 ASN CB C 13 38.794 0.2 . 1 . . . . 173 ASN CB . 17759 1 188 . 1 1 56 56 ASN H H 1 8.288 0.05 . 1 . . . . 174 ASN H . 17759 1 189 . 1 1 56 56 ASN C C 13 170.748 0.2 . 1 . . . . 174 ASN C . 17759 1 190 . 1 1 56 56 ASN CA C 13 53.329 0.2 . 1 . . . . 174 ASN CA . 17759 1 191 . 1 1 56 56 ASN CB C 13 38.751 0.2 . 1 . . . . 174 ASN CB . 17759 1 192 . 1 1 57 57 PHE H H 1 8.473 0.05 . 1 . . . . 175 PHE H . 17759 1 193 . 1 1 57 57 PHE C C 13 170.268 0.2 . 1 . . . . 175 PHE C . 17759 1 194 . 1 1 57 57 PHE CA C 13 58.565 0.2 . 1 . . . . 175 PHE CA . 17759 1 195 . 1 1 57 57 PHE CB C 13 28.093 0.2 . 1 . . . . 175 PHE CB . 17759 1 196 . 1 1 58 58 VAL H H 1 8.211 0.05 . 1 . . . . 176 VAL H . 17759 1 197 . 1 1 58 58 VAL C C 13 171.51 0.2 . 1 . . . . 176 VAL C . 17759 1 198 . 1 1 58 58 VAL CA C 13 62.497 0.2 . 1 . . . . 176 VAL CA . 17759 1 199 . 1 1 58 58 VAL CB C 13 32.812 0.2 . 1 . . . . 176 VAL CB . 17759 1 200 . 1 1 62 62 VAL CA C 13 62.569 0.2 . 1 . . . . 180 VAL CA . 17759 1 201 . 1 1 62 62 VAL CB C 13 32.842 0.2 . 1 . . . . 180 VAL CB . 17759 1 202 . 1 1 63 63 ASN H H 1 8.612 0.05 . 1 . . . . 181 ASN H . 17759 1 203 . 1 1 63 63 ASN C C 13 170.862 0.2 . 1 . . . . 181 ASN C . 17759 1 204 . 1 1 63 63 ASN CA C 13 53.072 0.2 . 1 . . . . 181 ASN CA . 17759 1 205 . 1 1 63 63 ASN CB C 13 38.997 0.2 . 1 . . . . 181 ASN CB . 17759 1 206 . 1 1 64 64 ILE H H 1 8.161 0.05 . 1 . . . . 182 ILE H . 17759 1 207 . 1 1 64 64 ILE C C 13 172.103 0.2 . 1 . . . . 182 ILE C . 17759 1 208 . 1 1 64 64 ILE CA C 13 61.225 0.2 . 1 . . . . 182 ILE CA . 17759 1 209 . 1 1 64 64 ILE CB C 13 38.921 0.2 . 1 . . . . 182 ILE CB . 17759 1 210 . 1 1 65 65 THR H H 1 8.316 0.05 . 1 . . . . 183 THR H . 17759 1 211 . 1 1 65 65 THR C C 13 170.307 0.2 . 1 . . . . 183 THR C . 17759 1 212 . 1 1 65 65 THR CA C 13 62.272 0.2 . 1 . . . . 183 THR CA . 17759 1 213 . 1 1 65 65 THR CB C 13 70.092 0.2 . 1 . . . . 183 THR CB . 17759 1 214 . 1 1 66 66 ILE H H 1 8.208 0.05 . 1 . . . . 184 ILE H . 17759 1 215 . 1 1 66 66 ILE C C 13 171.966 0.2 . 1 . . . . 184 ILE C . 17759 1 216 . 1 1 66 66 ILE CA C 13 61.128 0.2 . 1 . . . . 184 ILE CA . 17759 1 217 . 1 1 66 66 ILE CB C 13 38.683 0.2 . 1 . . . . 184 ILE CB . 17759 1 218 . 1 1 67 67 LYS H H 1 8.436 0.05 . 1 . . . . 185 LYS H . 17759 1 219 . 1 1 67 67 LYS C C 13 172.319 0.2 . 1 . . . . 185 LYS C . 17759 1 220 . 1 1 67 67 LYS CA C 13 56.391 0.2 . 1 . . . . 185 LYS CA . 17759 1 221 . 1 1 67 67 LYS CB C 13 32.948 0.2 . 1 . . . . 185 LYS CB . 17759 1 222 . 1 1 68 68 GLN H H 1 8.47 0.05 . 1 . . . . 186 GLN H . 17759 1 223 . 1 1 68 68 GLN C C 13 171.827 0.2 . 1 . . . . 186 GLN C . 17759 1 224 . 1 1 68 68 GLN CA C 13 55.962 0.2 . 1 . . . . 186 GLN CA . 17759 1 225 . 1 1 68 68 GLN CB C 13 29.714 0.2 . 1 . . . . 186 GLN CB . 17759 1 226 . 1 1 69 69 HIS H H 1 8.553 0.05 . 1 . . . . 187 HIS H . 17759 1 227 . 1 1 69 69 HIS C C 13 172.056 0.2 . 1 . . . . 187 HIS C . 17759 1 228 . 1 1 69 69 HIS CA C 13 55.933 0.2 . 1 . . . . 187 HIS CA . 17759 1 229 . 1 1 69 69 HIS CB C 13 29.173 0.2 . 1 . . . . 187 HIS CB . 17759 1 230 . 1 1 70 70 THR H H 1 8.386 0.05 . 1 . . . . 188 THR H . 17759 1 231 . 1 1 70 70 THR C C 13 170.405 0.2 . 1 . . . . 188 THR C . 17759 1 232 . 1 1 70 70 THR CA C 13 62.216 0.2 . 1 . . . . 188 THR CA . 17759 1 233 . 1 1 70 70 THR CB C 13 70.322 0.2 . 1 . . . . 188 THR CB . 17759 1 234 . 1 1 71 71 VAL H H 1 8.399 0.05 . 1 . . . . 189 VAL H . 17759 1 235 . 1 1 71 71 VAL C C 13 172.152 0.2 . 1 . . . . 189 VAL C . 17759 1 236 . 1 1 71 71 VAL CA C 13 62.347 0.2 . 1 . . . . 189 VAL CA . 17759 1 237 . 1 1 71 71 VAL CB C 13 32.929 0.2 . 1 . . . . 189 VAL CB . 17759 1 238 . 1 1 72 72 THR H H 1 8.372 0.05 . 1 . . . . 190 THR H . 17759 1 239 . 1 1 72 72 THR C C 13 170.637 0.2 . 1 . . . . 190 THR C . 17759 1 240 . 1 1 72 72 THR CA C 13 61.974 0.2 . 1 . . . . 190 THR CA . 17759 1 241 . 1 1 72 72 THR CB C 13 70.179 0.2 . 1 . . . . 190 THR CB . 17759 1 242 . 1 1 73 73 THR H H 1 8.273 0.05 . 1 . . . . 191 THR H . 17759 1 243 . 1 1 73 73 THR C C 13 170.686 0.2 . 1 . . . . 191 THR C . 17759 1 244 . 1 1 73 73 THR CA C 13 61.677 0.2 . 1 . . . . 191 THR CA . 17759 1 245 . 1 1 73 73 THR CB C 13 70.21 0.2 . 1 . . . . 191 THR CB . 17759 1 246 . 1 1 74 74 THR H H 1 8.297 0.05 . 1 . . . . 192 THR H . 17759 1 247 . 1 1 74 74 THR C C 13 170.618 0.2 . 1 . . . . 192 THR C . 17759 1 248 . 1 1 74 74 THR CA C 13 61.734 0.2 . 1 . . . . 192 THR CA . 17759 1 249 . 1 1 74 74 THR CB C 13 70.193 0.2 . 1 . . . . 192 THR CB . 17759 1 250 . 1 1 75 75 THR H H 1 8.239 0.05 . 1 . . . . 193 THR H . 17759 1 251 . 1 1 75 75 THR C C 13 170.568 0.2 . 1 . . . . 193 THR C . 17759 1 252 . 1 1 75 75 THR CA C 13 61.933 0.2 . 1 . . . . 193 THR CA . 17759 1 253 . 1 1 75 75 THR CB C 13 70.121 0.2 . 1 . . . . 193 THR CB . 17759 1 254 . 1 1 76 76 LYS H H 1 8.381 0.05 . 1 . . . . 194 LYS H . 17759 1 255 . 1 1 76 76 LYS C C 13 172.877 0.2 . 1 . . . . 194 LYS C . 17759 1 256 . 1 1 76 76 LYS CA C 13 56.875 0.2 . 1 . . . . 194 LYS CA . 17759 1 257 . 1 1 76 76 LYS CB C 13 33.034 0.2 . 1 . . . . 194 LYS CB . 17759 1 258 . 1 1 77 77 GLY H H 1 8.413 0.05 . 1 . . . . 195 GLY H . 17759 1 259 . 1 1 77 77 GLY C C 13 169.892 0.2 . 1 . . . . 195 GLY C . 17759 1 260 . 1 1 77 77 GLY CA C 13 45.272 0.2 . 1 . . . . 195 GLY CA . 17759 1 261 . 1 1 78 78 GLU H H 1 8.194 0.05 . 1 . . . . 196 GLU H . 17759 1 262 . 1 1 78 78 GLU C C 13 171.506 0.2 . 1 . . . . 196 GLU C . 17759 1 263 . 1 1 78 78 GLU CA C 13 55.659 0.2 . 1 . . . . 196 GLU CA . 17759 1 264 . 1 1 78 78 GLU CB C 13 28.951 0.2 . 1 . . . . 196 GLU CB . 17759 1 265 . 1 1 79 79 ASN H H 1 8.487 0.05 . 1 . . . . 197 ASN H . 17759 1 266 . 1 1 79 79 ASN C C 13 170.838 0.2 . 1 . . . . 197 ASN C . 17759 1 267 . 1 1 79 79 ASN CA C 13 53.018 0.2 . 1 . . . . 197 ASN CA . 17759 1 268 . 1 1 79 79 ASN CB C 13 38.864 0.2 . 1 . . . . 197 ASN CB . 17759 1 269 . 1 1 80 80 PHE H H 1 8.275 0.05 . 1 . . . . 198 PHE H . 17759 1 270 . 1 1 80 80 PHE C C 13 171.797 0.2 . 1 . . . . 198 PHE C . 17759 1 271 . 1 1 80 80 PHE CA C 13 58.135 0.2 . 1 . . . . 198 PHE CA . 17759 1 272 . 1 1 80 80 PHE CB C 13 39.435 0.2 . 1 . . . . 198 PHE CB . 17759 1 273 . 1 1 81 81 THR H H 1 8.18 0.05 . 1 . . . . 199 THR H . 17759 1 274 . 1 1 81 81 THR C C 13 170.35 0.2 . 1 . . . . 199 THR C . 17759 1 275 . 1 1 81 81 THR CA C 13 62.237 0.2 . 1 . . . . 199 THR CA . 17759 1 276 . 1 1 81 81 THR CB C 13 70.182 0.2 . 1 . . . . 199 THR CB . 17759 1 277 . 1 1 82 82 GLU H H 1 8.358 0.05 . 1 . . . . 200 GLU H . 17759 1 278 . 1 1 82 82 GLU C C 13 172.023 0.2 . 1 . . . . 200 GLU C . 17759 1 279 . 1 1 82 82 GLU CA C 13 55.875 0.2 . 1 . . . . 200 GLU CA . 17759 1 280 . 1 1 82 82 GLU CB C 13 28.789 0.2 . 1 . . . . 200 GLU CB . 17759 1 281 . 1 1 83 83 THR H H 1 8.205 0.05 . 1 . . . . 201 THR H . 17759 1 282 . 1 1 83 83 THR C C 13 170.189 0.2 . 1 . . . . 201 THR C . 17759 1 283 . 1 1 83 83 THR CA C 13 62.21 0.2 . 1 . . . . 201 THR CA . 17759 1 284 . 1 1 83 83 THR CB C 13 70.03 0.2 . 1 . . . . 201 THR CB . 17759 1 285 . 1 1 84 84 ASP H H 1 8.491 0.05 . 1 . . . . 202 ASP H . 17759 1 286 . 1 1 84 84 ASP C C 13 170.858 0.2 . 1 . . . . 202 ASP C . 17759 1 287 . 1 1 84 84 ASP CA C 13 53.114 0.2 . 1 . . . . 202 ASP CA . 17759 1 288 . 1 1 84 84 ASP CB C 13 38.355 0.2 . 1 . . . . 202 ASP CB . 17759 1 289 . 1 1 85 85 VAL H H 1 8.047 0.05 . 1 . . . . 203 VAL H . 17759 1 290 . 1 1 85 85 VAL C C 13 172.083 0.2 . 1 . . . . 203 VAL C . 17759 1 291 . 1 1 85 85 VAL CA C 13 62.564 0.2 . 1 . . . . 203 VAL CA . 17759 1 292 . 1 1 85 85 VAL CB C 13 32.669 0.2 . 1 . . . . 203 VAL CB . 17759 1 293 . 1 1 86 86 LYS H H 1 8.402 0.05 . 1 . . . . 204 LYS H . 17759 1 294 . 1 1 86 86 LYS C C 13 172.832 0.2 . 1 . . . . 204 LYS C . 17759 1 295 . 1 1 86 86 LYS CA C 13 56.719 0.2 . 1 . . . . 204 LYS CA . 17759 1 296 . 1 1 86 86 LYS CB C 13 32.842 0.2 . 1 . . . . 204 LYS CB . 17759 1 297 . 1 1 87 87 MET H H 1 8.742 0.05 . 1 . . . . 205 MET H . 17759 1 298 . 1 1 87 87 MET C C 13 170.675 0.2 . 1 . . . . 205 MET C . 17759 1 299 . 1 1 87 87 MET CA C 13 54.797 0.2 . 1 . . . . 205 MET CA . 17759 1 300 . 1 1 87 87 MET CB C 13 28.492 0.2 . 1 . . . . 205 MET CB . 17759 1 301 . 1 1 88 88 MET H H 1 8.94 0.05 . 1 . . . . 206 MET H . 17759 1 302 . 1 1 88 88 MET C C 13 170.344 0.2 . 1 . . . . 206 MET C . 17759 1 303 . 1 1 88 88 MET CA C 13 54.956 0.2 . 1 . . . . 206 MET CA . 17759 1 304 . 1 1 88 88 MET CB C 13 28.401 0.2 . 1 . . . . 206 MET CB . 17759 1 305 . 1 1 89 89 GLU CA C 13 55.663 0.2 . 1 . . . . 207 GLU CA . 17759 1 306 . 1 1 89 89 GLU CB C 13 28.845 0.2 . 1 . . . . 207 GLU CB . 17759 1 307 . 1 1 90 90 ARG H H 1 8.586 0.05 . 1 . . . . 208 ARG H . 17759 1 308 . 1 1 90 90 ARG C C 13 171.985 0.2 . 1 . . . . 208 ARG C . 17759 1 309 . 1 1 90 90 ARG CA C 13 56.341 0.2 . 1 . . . . 208 ARG CA . 17759 1 310 . 1 1 90 90 ARG CB C 13 30.946 0.2 . 1 . . . . 208 ARG CB . 17759 1 311 . 1 1 91 91 VAL H H 1 8.36 0.05 . 1 . . . . 209 VAL H . 17759 1 312 . 1 1 91 91 VAL C C 13 171.949 0.2 . 1 . . . . 209 VAL C . 17759 1 313 . 1 1 91 91 VAL CA C 13 62.429 0.2 . 1 . . . . 209 VAL CA . 17759 1 314 . 1 1 91 91 VAL CB C 13 32.945 0.2 . 1 . . . . 209 VAL CB . 17759 1 315 . 1 1 92 92 VAL H H 1 8.34 0.05 . 1 . . . . 210 VAL H . 17759 1 316 . 1 1 92 92 VAL C C 13 171.908 0.2 . 1 . . . . 210 VAL C . 17759 1 317 . 1 1 92 92 VAL CA C 13 62.426 0.2 . 1 . . . . 210 VAL CA . 17759 1 318 . 1 1 92 92 VAL CB C 13 32.797 0.2 . 1 . . . . 210 VAL CB . 17759 1 319 . 1 1 93 93 GLU H H 1 8.483 0.05 . 1 . . . . 211 GLU H . 17759 1 320 . 1 1 93 93 GLU C C 13 171.841 0.2 . 1 . . . . 211 GLU C . 17759 1 321 . 1 1 93 93 GLU CA C 13 55.536 0.2 . 1 . . . . 211 GLU CA . 17759 1 322 . 1 1 93 93 GLU CB C 13 28.79 0.2 . 1 . . . . 211 GLU CB . 17759 1 323 . 1 1 94 94 GLN H H 1 8.746 0.05 . 1 . . . . 212 GLN H . 17759 1 324 . 1 1 94 94 GLN C C 13 170.406 0.2 . 1 . . . . 212 GLN C . 17759 1 325 . 1 1 94 94 GLN CA C 13 55.552 0.2 . 1 . . . . 212 GLN CA . 17759 1 326 . 1 1 94 94 GLN CB C 13 29.047 0.2 . 1 . . . . 212 GLN CB . 17759 1 327 . 1 1 96 96 SMC HA H 1 8.642 0.05 . 1 . . . . 214 CYS H . 17759 1 328 . 1 1 96 96 SMC C C 13 170.467 0.2 . 1 . . . . 214 CYS C . 17759 1 329 . 1 1 96 96 SMC CA C 13 58.606 0.2 . 1 . . . . 214 CYS CA . 17759 1 330 . 1 1 96 96 SMC CB C 13 28.266 0.2 . 1 . . . . 214 CYS CB . 17759 1 331 . 1 1 97 97 VAL H H 1 8.431 0.05 . 1 . . . . 215 VAL H . 17759 1 332 . 1 1 97 97 VAL C C 13 172.218 0.2 . 1 . . . . 215 VAL C . 17759 1 333 . 1 1 97 97 VAL CA C 13 62.602 0.2 . 1 . . . . 215 VAL CA . 17759 1 334 . 1 1 97 97 VAL CB C 13 32.77 0.2 . 1 . . . . 215 VAL CB . 17759 1 335 . 1 1 98 98 THR H H 1 8.247 0.05 . 1 . . . . 216 THR H . 17759 1 336 . 1 1 98 98 THR C C 13 170.26 0.2 . 1 . . . . 216 THR C . 17759 1 337 . 1 1 98 98 THR CA C 13 62.284 0.2 . 1 . . . . 216 THR CA . 17759 1 338 . 1 1 98 98 THR CB C 13 70.099 0.2 . 1 . . . . 216 THR CB . 17759 1 339 . 1 1 99 99 GLN H H 1 8.396 0.05 . 1 . . . . 217 GLN H . 17759 1 340 . 1 1 99 99 GLN C C 13 171.509 0.2 . 1 . . . . 217 GLN C . 17759 1 341 . 1 1 99 99 GLN CA C 13 55.873 0.2 . 1 . . . . 217 GLN CA . 17759 1 342 . 1 1 99 99 GLN CB C 13 29.496 0.2 . 1 . . . . 217 GLN CB . 17759 1 343 . 1 1 100 100 TYR H H 1 8.229 0.05 . 1 . . . . 218 TYR H . 17759 1 344 . 1 1 100 100 TYR C C 13 171.782 0.2 . 1 . . . . 218 TYR C . 17759 1 345 . 1 1 100 100 TYR CA C 13 58.269 0.2 . 1 . . . . 218 TYR CA . 17759 1 346 . 1 1 100 100 TYR CB C 13 38.72 0.2 . 1 . . . . 218 TYR CB . 17759 1 347 . 1 1 101 101 GLN H H 1 8.341 0.05 . 1 . . . . 219 GLN H . 17759 1 348 . 1 1 101 101 GLN C C 13 171.728 0.2 . 1 . . . . 219 GLN C . 17759 1 349 . 1 1 101 101 GLN CA C 13 55.803 0.2 . 1 . . . . 219 GLN CA . 17759 1 350 . 1 1 101 101 GLN CB C 13 29.608 0.2 . 1 . . . . 219 GLN CB . 17759 1 351 . 1 1 102 102 LYS H H 1 8.366 0.05 . 1 . . . . 220 LYS H . 17759 1 352 . 1 1 102 102 LYS C C 13 172.604 0.2 . 1 . . . . 220 LYS C . 17759 1 353 . 1 1 102 102 LYS CA C 13 56.794 0.2 . 1 . . . . 220 LYS CA . 17759 1 354 . 1 1 102 102 LYS CB C 13 32.959 0.2 . 1 . . . . 220 LYS CB . 17759 1 355 . 1 1 103 103 GLU H H 1 8.43 0.05 . 1 . . . . 221 GLU H . 17759 1 356 . 1 1 103 103 GLU C C 13 172.065 0.2 . 1 . . . . 221 GLU C . 17759 1 357 . 1 1 103 103 GLU CA C 13 55.712 0.2 . 1 . . . . 221 GLU CA . 17759 1 358 . 1 1 103 103 GLU CB C 13 28.823 0.2 . 1 . . . . 221 GLU CB . 17759 1 359 . 1 1 104 104 SER H H 1 8.388 0.05 . 1 . . . . 222 SER H . 17759 1 360 . 1 1 104 104 SER C C 13 170.528 0.2 . 1 . . . . 222 SER C . 17759 1 361 . 1 1 104 104 SER CA C 13 58.492 0.2 . 1 . . . . 222 SER CA . 17759 1 362 . 1 1 104 104 SER CB C 13 64.132 0.2 . 1 . . . . 222 SER CB . 17759 1 363 . 1 1 105 105 GLN H H 1 8.445 0.05 . 1 . . . . 223 GLN H . 17759 1 364 . 1 1 105 105 GLN C C 13 171.654 0.2 . 1 . . . . 223 GLN C . 17759 1 365 . 1 1 105 105 GLN CA C 13 56.158 0.2 . 1 . . . . 223 GLN CA . 17759 1 366 . 1 1 105 105 GLN CB C 13 29.395 0.2 . 1 . . . . 223 GLN CB . 17759 1 367 . 1 1 106 106 ALA H H 1 8.224 0.05 . 1 . . . . 224 ALA H . 17759 1 368 . 1 1 106 106 ALA C C 13 173.313 0.2 . 1 . . . . 224 ALA C . 17759 1 369 . 1 1 106 106 ALA CA C 13 52.72 0.2 . 1 . . . . 224 ALA CA . 17759 1 370 . 1 1 106 106 ALA CB C 13 19.14 0.2 . 1 . . . . 224 ALA CB . 17759 1 371 . 1 1 107 107 TYR H H 1 8.041 0.05 . 1 . . . . 225 TYR H . 17759 1 372 . 1 1 107 107 TYR C C 13 171.582 0.2 . 1 . . . . 225 TYR C . 17759 1 373 . 1 1 107 107 TYR CA C 13 58.237 0.2 . 1 . . . . 225 TYR CA . 17759 1 374 . 1 1 107 107 TYR CB C 13 39.005 0.2 . 1 . . . . 225 TYR CB . 17759 1 375 . 1 1 108 108 TYR H H 1 8.15 0.05 . 1 . . . . 226 TYR H . 17759 1 376 . 1 1 108 108 TYR C C 13 171.416 0.2 . 1 . . . . 226 TYR C . 17759 1 377 . 1 1 108 108 TYR CA C 13 58.24 0.2 . 1 . . . . 226 TYR CA . 17759 1 378 . 1 1 108 108 TYR CB C 13 38.937 0.2 . 1 . . . . 226 TYR CB . 17759 1 379 . 1 1 109 109 ASP H H 1 8.353 0.05 . 1 . . . . 227 ASP H . 17759 1 380 . 1 1 109 109 ASP C C 13 171.208 0.2 . 1 . . . . 227 ASP C . 17759 1 381 . 1 1 109 109 ASP CA C 13 52.724 0.2 . 1 . . . . 227 ASP CA . 17759 1 382 . 1 1 109 109 ASP CB C 13 38.616 0.2 . 1 . . . . 227 ASP CB . 17759 1 383 . 1 1 110 110 GLY H H 1 7.644 0.05 . 1 . . . . 228 GLY H . 17759 1 384 . 1 1 110 110 GLY C C 13 169.658 0.2 . 1 . . . . 228 GLY C . 17759 1 385 . 1 1 110 110 GLY CA C 13 45.414 0.2 . 1 . . . . 228 GLY CA . 17759 1 386 . 1 1 111 111 ARG H H 1 8.082 0.05 . 1 . . . . 229 ARG H . 17759 1 387 . 1 1 111 111 ARG C C 13 172.32 0.2 . 1 . . . . 229 ARG C . 17759 1 388 . 1 1 111 111 ARG CA C 13 56.186 0.2 . 1 . . . . 229 ARG CA . 17759 1 389 . 1 1 111 111 ARG CB C 13 31.026 0.2 . 1 . . . . 229 ARG CB . 17759 1 390 . 1 1 112 112 ARG H H 1 8.529 0.05 . 1 . . . . 230 ARG H . 17759 1 391 . 1 1 112 112 ARG C C 13 172.325 0.2 . 1 . . . . 230 ARG C . 17759 1 392 . 1 1 112 112 ARG CA C 13 56.284 0.2 . 1 . . . . 230 ARG CA . 17759 1 393 . 1 1 112 112 ARG CB C 13 31.011 0.2 . 1 . . . . 230 ARG CB . 17759 1 394 . 1 1 113 113 SER H H 1 8.46 0.05 . 1 . . . . 231 SER H . 17759 1 395 . 1 1 113 113 SER C C 13 170.161 0.2 . 1 . . . . 231 SER C . 17759 1 396 . 1 1 113 113 SER CA C 13 58.436 0.2 . 1 . . . . 231 SER CA . 17759 1 397 . 1 1 113 113 SER CB C 13 64.237 0.2 . 1 . . . . 231 SER CB . 17759 1 398 . 1 1 114 114 SER H H 1 8.358 0.05 . 1 . . . . 232 SER H . 17759 1 399 . 1 1 114 114 SER C C 13 172.37 0.2 . 1 . . . . 232 SER C . 17759 1 400 . 1 1 114 114 SER CA C 13 58.232 0.2 . 1 . . . . 232 SER CA . 17759 1 401 . 1 1 114 114 SER CB C 13 64.193 0.2 . 1 . . . . 232 SER CB . 17759 1 stop_ save_