################################### # 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_chemical_shifts_wCa _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shifts_wCa _Assigned_chem_shift_list.Entry_ID 9500 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_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 HNCACB 1 $sample_1 isotropic 9500 1 2 CBCA(CO)NH 1 $sample_1 isotropic 9500 1 3 HNCA 1 $sample_1 isotropic 9500 1 4 HN(CO)CA 1 $sample_1 isotropic 9500 1 5 HNCO 1 $sample_1 isotropic 9500 1 6 H(CCO)NH 1 $sample_1 isotropic 9500 1 7 C(CO)NH 1 $sample_1 isotropic 9500 1 8 HCCH-TOCSY 1 $sample_1 isotropic 9500 1 9 '2D 13C-NOESY' 1 $sample_1 isotropic 9500 1 10 '2D aromatic 13C-edited NOESY' 2 $sample_2 isotropic 9500 1 11 '3D 13C-edited NOESY' 1 $sample_1 isotropic 9500 1 12 '3D 15N-edited NOESY' 1 $sample_1 isotropic 9500 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 4 4 MET H H 1 8.513 . . 1 . . . . 134 MET H . 9500 1 2 . 1 1 4 4 MET N N 15 120.6 . . 1 . . . . 134 MET N . 9500 1 3 . 1 1 5 5 ASP CA C 13 55.8 . . 1 . . . . 135 ASP CA . 9500 1 4 . 1 1 5 5 ASP CB C 13 41.3 . . 1 . . . . 135 ASP CB . 9500 1 5 . 1 1 6 6 LEU H H 1 8.402 . . 1 . . . . 136 LEU H . 9500 1 6 . 1 1 6 6 LEU CA C 13 55.8 . . 1 . . . . 136 LEU CA . 9500 1 7 . 1 1 6 6 LEU CB C 13 41.3 . . 1 . . . . 136 LEU CB . 9500 1 8 . 1 1 6 6 LEU N N 15 119.5 . . 1 . . . . 136 LEU N . 9500 1 9 . 1 1 7 7 ARG H H 1 8.374 . . 1 . . . . 137 ARG H . 9500 1 10 . 1 1 7 7 ARG CA C 13 56.83 . . 1 . . . . 137 ARG CA . 9500 1 11 . 1 1 7 7 ARG CB C 13 30.3 . . 1 . . . . 137 ARG CB . 9500 1 12 . 1 1 7 7 ARG N N 15 119.7 . . 1 . . . . 137 ARG N . 9500 1 13 . 1 1 8 8 ALA H H 1 8.098 . . 1 . . . . 138 ALA H . 9500 1 14 . 1 1 8 8 ALA CA C 13 53.2 . . 1 . . . . 138 ALA CA . 9500 1 15 . 1 1 8 8 ALA CB C 13 19.45 . . 1 . . . . 138 ALA CB . 9500 1 16 . 1 1 8 8 ALA N N 15 123 . . 1 . . . . 138 ALA N . 9500 1 17 . 1 1 9 9 ASN H H 1 8.26 . . 1 . . . . 139 ASN H . 9500 1 18 . 1 1 9 9 ASN CA C 13 53.51 . . 1 . . . . 139 ASN CA . 9500 1 19 . 1 1 9 9 ASN CB C 13 38.83 . . 1 . . . . 139 ASN CB . 9500 1 20 . 1 1 9 9 ASN N N 15 116.8 . . 1 . . . . 139 ASN N . 9500 1 21 . 1 1 10 10 LEU H H 1 8.057 . . 1 . . . . 140 LEU H . 9500 1 22 . 1 1 10 10 LEU CA C 13 55.46 . . 1 . . . . 140 LEU CA . 9500 1 23 . 1 1 10 10 LEU CB C 13 42.24 . . 1 . . . . 140 LEU CB . 9500 1 24 . 1 1 10 10 LEU N N 15 121.6 . . 1 . . . . 140 LEU N . 9500 1 25 . 1 1 11 11 LYS H H 1 8.151 . . 1 . . . . 141 LYS H . 9500 1 26 . 1 1 11 11 LYS CA C 13 56.59 . . 1 . . . . 141 LYS CA . 9500 1 27 . 1 1 11 11 LYS CB C 13 32.92 . . 1 . . . . 141 LYS CB . 9500 1 28 . 1 1 11 11 LYS N N 15 121 . . 1 . . . . 141 LYS N . 9500 1 29 . 1 1 12 12 GLN H H 1 8.255 . . 1 . . . . 142 GLN H . 9500 1 30 . 1 1 12 12 GLN CA C 13 55.8 . . 1 . . . . 142 GLN CA . 9500 1 31 . 1 1 12 12 GLN CB C 13 29.6 . . 1 . . . . 142 GLN CB . 9500 1 32 . 1 1 12 12 GLN N N 15 121.3 . . 1 . . . . 142 GLN N . 9500 1 33 . 1 1 13 13 VAL H H 1 8.188 . . 1 . . . . 143 VAL H . 9500 1 34 . 1 1 13 13 VAL CA C 13 62.38 . . 1 . . . . 143 VAL CA . 9500 1 35 . 1 1 13 13 VAL CB C 13 32.89 . . 1 . . . . 143 VAL CB . 9500 1 36 . 1 1 13 13 VAL N N 15 122.1 . . 1 . . . . 143 VAL N . 9500 1 37 . 1 1 14 14 LYS H H 1 8.451 . . 1 . . . . 144 LYS H . 9500 1 38 . 1 1 14 14 LYS CA C 13 56.06 . . 1 . . . . 144 LYS CA . 9500 1 39 . 1 1 14 14 LYS CB C 13 33.34 . . 1 . . . . 144 LYS CB . 9500 1 40 . 1 1 14 14 LYS N N 15 125.9 . . 1 . . . . 144 LYS N . 9500 1 41 . 1 1 15 15 LYS H H 1 8.483 . . 1 . . . . 145 LYS H . 9500 1 42 . 1 1 15 15 LYS CA C 13 56.58 . . 1 . . . . 145 LYS CA . 9500 1 43 . 1 1 15 15 LYS CB C 13 33.33 . . 1 . . . . 145 LYS CB . 9500 1 44 . 1 1 15 15 LYS N N 15 124.4 . . 1 . . . . 145 LYS N . 9500 1 45 . 1 1 16 16 GLU H H 1 8.657 . . 1 . . . . 146 GLU H . 9500 1 46 . 1 1 16 16 GLU CA C 13 56.7 . . 1 . . . . 146 GLU CA . 9500 1 47 . 1 1 16 16 GLU CB C 13 30.52 . . 1 . . . . 146 GLU CB . 9500 1 48 . 1 1 16 16 GLU N N 15 122.2 . . 1 . . . . 146 GLU N . 9500 1 49 . 1 1 17 17 ASP H H 1 8.463 . . 1 . . . . 147 ASP H . 9500 1 50 . 1 1 17 17 ASP CA C 13 54.66 . . 1 . . . . 147 ASP CA . 9500 1 51 . 1 1 17 17 ASP CB C 13 41.21 . . 1 . . . . 147 ASP CB . 9500 1 52 . 1 1 17 17 ASP N N 15 121.8 . . 1 . . . . 147 ASP N . 9500 1 53 . 1 1 18 18 THR H H 1 8.115 . . 1 . . . . 148 THR H . 9500 1 54 . 1 1 18 18 THR CA C 13 62.36 . . 1 . . . . 148 THR CA . 9500 1 55 . 1 1 18 18 THR CB C 13 69.55 . . 1 . . . . 148 THR CB . 9500 1 56 . 1 1 18 18 THR N N 15 113.9 . . 1 . . . . 148 THR N . 9500 1 57 . 1 1 19 19 GLU H H 1 8.406 . . 1 . . . . 149 GLU H . 9500 1 58 . 1 1 19 19 GLU CA C 13 57.02 . . 1 . . . . 149 GLU CA . 9500 1 59 . 1 1 19 19 GLU CB C 13 30.18 . . 1 . . . . 149 GLU CB . 9500 1 60 . 1 1 19 19 GLU N N 15 122.8 . . 1 . . . . 149 GLU N . 9500 1 61 . 1 1 20 20 LYS H H 1 8.181 . . 1 . . . . 150 LYS H . 9500 1 62 . 1 1 20 20 LYS CA C 13 56.8 . . 1 . . . . 150 LYS CA . 9500 1 63 . 1 1 20 20 LYS CB C 13 33.13 . . 1 . . . . 150 LYS CB . 9500 1 64 . 1 1 20 20 LYS N N 15 121.7 . . 1 . . . . 150 LYS N . 9500 1 65 . 1 1 21 21 GLU H H 1 8.377 . . 1 . . . . 151 GLU H . 9500 1 66 . 1 1 21 21 GLU CA C 13 56.99 . . 1 . . . . 151 GLU CA . 9500 1 67 . 1 1 21 21 GLU CB C 13 30.13 . . 1 . . . . 151 GLU CB . 9500 1 68 . 1 1 21 21 GLU N N 15 121.3 . . 1 . . . . 151 GLU N . 9500 1 69 . 1 1 22 22 LYS H H 1 8.22 . . 1 . . . . 152 LYS H . 9500 1 70 . 1 1 22 22 LYS CA C 13 56.88 . . 1 . . . . 152 LYS CA . 9500 1 71 . 1 1 22 22 LYS CB C 13 33.23 . . 1 . . . . 152 LYS CB . 9500 1 72 . 1 1 22 22 LYS N N 15 121.7 . . 1 . . . . 152 LYS N . 9500 1 73 . 1 1 23 23 ASP H H 1 8.354 . . 1 . . . . 153 ASP H . 9500 1 74 . 1 1 23 23 ASP CA C 13 54.45 . . 1 . . . . 153 ASP CA . 9500 1 75 . 1 1 23 23 ASP CB C 13 41.4 . . 1 . . . . 153 ASP CB . 9500 1 76 . 1 1 23 23 ASP N N 15 121.2 . . 1 . . . . 153 ASP N . 9500 1 77 . 1 1 24 24 LEU H H 1 8.188 . . 1 . . . . 154 LEU H . 9500 1 78 . 1 1 24 24 LEU CA C 13 55.5 . . 1 . . . . 154 LEU CA . 9500 1 79 . 1 1 24 24 LEU CB C 13 42.06 . . 1 . . . . 154 LEU CB . 9500 1 80 . 1 1 24 24 LEU N N 15 123 . . 1 . . . . 154 LEU N . 9500 1 81 . 1 1 25 25 ARG H H 1 8.241 . . 1 . . . . 155 ARG H . 9500 1 82 . 1 1 25 25 ARG CA C 13 56.63 . . 1 . . . . 155 ARG CA . 9500 1 83 . 1 1 25 25 ARG CB C 13 30.82 . . 1 . . . . 155 ARG CB . 9500 1 84 . 1 1 25 25 ARG N N 15 120.7 . . 1 . . . . 155 ARG N . 9500 1 85 . 1 1 26 26 ASP H H 1 8.331 . . 1 . . . . 156 ASP H . 9500 1 86 . 1 1 26 26 ASP CA C 13 54.39 . . 1 . . . . 156 ASP CA . 9500 1 87 . 1 1 26 26 ASP CB C 13 41.4 . . 1 . . . . 156 ASP CB . 9500 1 88 . 1 1 26 26 ASP N N 15 120.9 . . 1 . . . . 156 ASP N . 9500 1 89 . 1 1 27 27 VAL H H 1 8.043 . . 1 . . . . 157 VAL H . 9500 1 90 . 1 1 27 27 VAL CA C 13 62.51 . . 1 . . . . 157 VAL CA . 9500 1 91 . 1 1 27 27 VAL CB C 13 32.66 . . 1 . . . . 157 VAL CB . 9500 1 92 . 1 1 27 27 VAL N N 15 119.4 . . 1 . . . . 157 VAL N . 9500 1 93 . 1 1 28 28 GLY H H 1 8.405 . . 1 . . . . 158 GLY H . 9500 1 94 . 1 1 28 28 GLY CA C 13 45.56 . . 1 . . . . 158 GLY CA . 9500 1 95 . 1 1 28 28 GLY N N 15 111.1 . . 1 . . . . 158 GLY N . 9500 1 96 . 1 1 29 29 ASP H H 1 8.213 . . 1 . . . . 159 ASP H . 9500 1 97 . 1 1 29 29 ASP CA C 13 54.45 . . 1 . . . . 159 ASP CA . 9500 1 98 . 1 1 29 29 ASP CB C 13 41.07 . . 1 . . . . 159 ASP CB . 9500 1 99 . 1 1 29 29 ASP N N 15 121 . . 1 . . . . 159 ASP N . 9500 1 100 . 1 1 30 30 TRP H H 1 7.979 . . 1 . . . . 160 TRP H . 9500 1 101 . 1 1 30 30 TRP CA C 13 57.93 . . 1 . . . . 160 TRP CA . 9500 1 102 . 1 1 30 30 TRP CB C 13 29 . . 1 . . . . 160 TRP CB . 9500 1 103 . 1 1 30 30 TRP N N 15 122 . . 1 . . . . 160 TRP N . 9500 1 104 . 1 1 31 31 ARG H H 1 7.786 . . 1 . . . . 161 ARG H . 9500 1 105 . 1 1 31 31 ARG CA C 13 56.96 . . 1 . . . . 161 ARG CA . 9500 1 106 . 1 1 31 31 ARG CB C 13 30.23 . . 1 . . . . 161 ARG CB . 9500 1 107 . 1 1 31 31 ARG N N 15 121.4 . . 1 . . . . 161 ARG N . 9500 1 108 . 1 1 32 32 LYS H H 1 7.885 . . 1 . . . . 162 LYS H . 9500 1 109 . 1 1 32 32 LYS CA C 13 56.79 . . 1 . . . . 162 LYS CA . 9500 1 110 . 1 1 32 32 LYS CB C 13 32.97 . . 1 . . . . 162 LYS CB . 9500 1 111 . 1 1 32 32 LYS N N 15 120.4 . . 1 . . . . 162 LYS N . 9500 1 112 . 1 1 33 33 ASN H H 1 8.252 . . 1 . . . . 163 ASN H . 9500 1 113 . 1 1 33 33 ASN CA C 13 53.62 . . 1 . . . . 163 ASN CA . 9500 1 114 . 1 1 33 33 ASN CB C 13 38.84 . . 1 . . . . 163 ASN CB . 9500 1 115 . 1 1 33 33 ASN N N 15 118.8 . . 1 . . . . 163 ASN N . 9500 1 116 . 1 1 34 34 ILE H H 1 7.974 . . 1 . . . . 164 ILE H . 9500 1 117 . 1 1 34 34 ILE CA C 13 61.66 . . 1 . . . . 164 ILE CA . 9500 1 118 . 1 1 34 34 ILE CB C 13 38.78 . . 1 . . . . 164 ILE CB . 9500 1 119 . 1 1 34 34 ILE N N 15 120.4 . . 1 . . . . 164 ILE N . 9500 1 120 . 1 1 35 35 GLU H H 1 8.394 . . 1 . . . . 165 GLU H . 9500 1 121 . 1 1 35 35 GLU CA C 13 56.97 . . 1 . . . . 165 GLU CA . 9500 1 122 . 1 1 35 35 GLU CB C 13 30.34 . . 1 . . . . 165 GLU CB . 9500 1 123 . 1 1 35 35 GLU N N 15 124 . . 1 . . . . 165 GLU N . 9500 1 124 . 1 1 36 36 GLU H H 1 8.374 . . 1 . . . . 166 GLU H . 9500 1 125 . 1 1 36 36 GLU CA C 13 56.81 . . 1 . . . . 166 GLU CA . 9500 1 126 . 1 1 36 36 GLU CB C 13 30.3 . . 1 . . . . 166 GLU CB . 9500 1 127 . 1 1 36 36 GLU N N 15 122.3 . . 1 . . . . 166 GLU N . 9500 1 128 . 1 1 37 37 LYS H H 1 8.352 . . 1 . . . . 167 LYS H . 9500 1 129 . 1 1 37 37 LYS CA C 13 56.56 . . 1 . . . . 167 LYS CA . 9500 1 130 . 1 1 37 37 LYS CB C 13 33.05 . . 1 . . . . 167 LYS CB . 9500 1 131 . 1 1 37 37 LYS N N 15 122.2 . . 1 . . . . 167 LYS N . 9500 1 132 . 1 1 38 38 SER H H 1 8.405 . . 1 . . . . 168 SER H . 9500 1 133 . 1 1 38 38 SER CA C 13 58.77 . . 1 . . . . 168 SER CA . 9500 1 134 . 1 1 38 38 SER CB C 13 63.83 . . 1 . . . . 168 SER CB . 9500 1 135 . 1 1 38 38 SER N N 15 116.6 . . 1 . . . . 168 SER N . 9500 1 136 . 1 1 39 39 GLY H H 1 8.529 . . 1 . . . . 169 GLY H . 9500 1 137 . 1 1 39 39 GLY CA C 13 45.66 . . 1 . . . . 169 GLY CA . 9500 1 138 . 1 1 39 39 GLY N N 15 110.9 . . 1 . . . . 169 GLY N . 9500 1 139 . 1 1 40 40 MET H H 1 8.263 . . 1 . . . . 170 MET H . 9500 1 140 . 1 1 40 40 MET CA C 13 55.82 . . 1 . . . . 170 MET CA . 9500 1 141 . 1 1 40 40 MET CB C 13 32.86 . . 1 . . . . 170 MET CB . 9500 1 142 . 1 1 40 40 MET N N 15 119.7 . . 1 . . . . 170 MET N . 9500 1 143 . 1 1 41 41 GLU H H 1 8.612 . . 1 . . . . 171 GLU H . 9500 1 144 . 1 1 41 41 GLU CA C 13 57.46 . . 1 . . . . 171 GLU CA . 9500 1 145 . 1 1 41 41 GLU CB C 13 29.96 . . 1 . . . . 171 GLU CB . 9500 1 146 . 1 1 41 41 GLU N N 15 121.5 . . 1 . . . . 171 GLU N . 9500 1 147 . 1 1 42 42 GLY H H 1 8.43 . . 1 . . . . 172 GLY H . 9500 1 148 . 1 1 42 42 GLY CA C 13 45.58 . . 1 . . . . 172 GLY CA . 9500 1 149 . 1 1 42 42 GLY N N 15 109.6 . . 1 . . . . 172 GLY N . 9500 1 150 . 1 1 43 43 ARG H H 1 8.054 . . 1 . . . . 173 ARG H . 9500 1 151 . 1 1 43 43 ARG CA C 13 56.4 . . 1 . . . . 173 ARG CA . 9500 1 152 . 1 1 43 43 ARG CB C 13 30.79 . . 1 . . . . 173 ARG CB . 9500 1 153 . 1 1 43 43 ARG N N 15 120.5 . . 1 . . . . 173 ARG N . 9500 1 154 . 1 1 44 44 LYS H H 1 8.285 . . 1 . . . . 174 LYS H . 9500 1 155 . 1 1 44 44 LYS CA C 13 56.58 . . 1 . . . . 174 LYS CA . 9500 1 156 . 1 1 44 44 LYS CB C 13 33.23 . . 1 . . . . 174 LYS CB . 9500 1 157 . 1 1 44 44 LYS N N 15 122.3 . . 1 . . . . 174 LYS N . 9500 1 158 . 1 1 45 45 LYS H H 1 8.303 . . 1 . . . . 175 LYS H . 9500 1 159 . 1 1 45 45 LYS CA C 13 56.53 . . 1 . . . . 175 LYS CA . 9500 1 160 . 1 1 45 45 LYS CB C 13 33 . . 1 . . . . 175 LYS CB . 9500 1 161 . 1 1 45 45 LYS N N 15 122.4 . . 1 . . . . 175 LYS N . 9500 1 162 . 1 1 46 46 MET H H 1 8.307 . . 1 . . . . 176 MET H . 9500 1 163 . 1 1 46 46 MET CA C 13 55.81 . . 1 . . . . 176 MET CA . 9500 1 164 . 1 1 46 46 MET CB C 13 32.97 . . 1 . . . . 176 MET CB . 9500 1 165 . 1 1 46 46 MET N N 15 121.3 . . 1 . . . . 176 MET N . 9500 1 166 . 1 1 47 47 PHE H H 1 8.195 . . 1 . . . . 177 PHE H . 9500 1 167 . 1 1 47 47 PHE CA C 13 57.75 . . 1 . . . . 177 PHE CA . 9500 1 168 . 1 1 47 47 PHE CB C 13 39.65 . . 1 . . . . 177 PHE CB . 9500 1 169 . 1 1 47 47 PHE N N 15 120.5 . . 1 . . . . 177 PHE N . 9500 1 170 . 1 1 48 48 GLU H H 1 8.344 . . 1 . . . . 178 GLU H . 9500 1 171 . 1 1 48 48 GLU CA C 13 56.38 . . 1 . . . . 178 GLU CA . 9500 1 172 . 1 1 48 48 GLU CB C 13 30.67 . . 1 . . . . 178 GLU CB . 9500 1 173 . 1 1 48 48 GLU N N 15 122.6 . . 1 . . . . 178 GLU N . 9500 1 174 . 1 1 49 49 ALA H H 1 8.338 . . 1 . . . . 179 ALA H . 9500 1 175 . 1 1 49 49 ALA CA C 13 52.8 . . 1 . . . . 179 ALA CA . 9500 1 176 . 1 1 49 49 ALA CB C 13 19.33 . . 1 . . . . 179 ALA CB . 9500 1 177 . 1 1 49 49 ALA N N 15 125 . . 1 . . . . 179 ALA N . 9500 1 178 . 1 1 50 50 GLY H H 1 8.365 . . 1 . . . . 180 GLY H . 9500 1 179 . 1 1 50 50 GLY CA C 13 45.24 . . 1 . . . . 180 GLY CA . 9500 1 180 . 1 1 50 50 GLY N N 15 108.2 . . 1 . . . . 180 GLY N . 9500 1 181 . 1 1 51 51 GLU H H 1 8.254 . . 1 . . . . 181 GLU H . 9500 1 182 . 1 1 51 51 GLU CA C 13 56.47 . . 1 . . . . 181 GLU CA . 9500 1 183 . 1 1 51 51 GLU CB C 13 30.76 . . 1 . . . . 181 GLU CB . 9500 1 184 . 1 1 51 51 GLU N N 15 120.8 . . 1 . . . . 181 GLU N . 9500 1 185 . 1 1 52 52 SER H H 1 8.023 . . 1 . . . . 182 SER H . 9500 1 186 . 1 1 52 52 SER CA C 13 60.02 . . 1 . . . . 182 SER CA . 9500 1 187 . 1 1 52 52 SER CB C 13 64.96 . . 1 . . . . 182 SER CB . 9500 1 188 . 1 1 52 52 SER N N 15 122.2 . . 1 . . . . 182 SER N . 9500 1 stop_ save_