################################### # 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 27549 _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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 1H-15N HSQC' . . . 27549 1 2 '3D HNCA' . . . 27549 1 3 '3D HN(CO)CA' . . . 27549 1 4 '3D CBCA(CO)NH' . . . 27549 1 5 '3D HNCACB' . . . 27549 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $SPARKY . . 27549 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 5 5 SER H H 1 8.180 0.01 . 1 . . . . . 190 SER H . 27549 1 2 . 1 1 5 5 SER CA C 13 58.500 0.2 . 1 . . . . . 190 SER CA . 27549 1 3 . 1 1 5 5 SER CB C 13 64.300 0.2 . 1 . . . . . 190 SER CB . 27549 1 4 . 1 1 5 5 SER N N 15 115.400 0.2 . 1 . . . . . 190 SER N . 27549 1 5 . 1 1 6 6 ARG H H 1 8.400 0.01 . 1 . . . . . 191 ARG H . 27549 1 6 . 1 1 6 6 ARG CA C 13 56.100 0.2 . 1 . . . . . 191 ARG CA . 27549 1 7 . 1 1 6 6 ARG CB C 13 33.200 0.2 . 1 . . . . . 191 ARG CB . 27549 1 8 . 1 1 6 6 ARG N N 15 122.900 0.2 . 1 . . . . . 191 ARG N . 27549 1 9 . 1 1 7 7 LYS H H 1 8.450 0.01 . 1 . . . . . 192 LYS H . 27549 1 10 . 1 1 7 7 LYS CA C 13 56.400 0.2 . 1 . . . . . 192 LYS CA . 27549 1 11 . 1 1 7 7 LYS CB C 13 33.300 0.2 . 1 . . . . . 192 LYS CB . 27549 1 12 . 1 1 7 7 LYS N N 15 123.500 0.2 . 1 . . . . . 192 LYS N . 27549 1 13 . 1 1 8 8 VAL H H 1 8.170 0.01 . 1 . . . . . 193 VAL H . 27549 1 14 . 1 1 8 8 VAL CA C 13 63.200 0.2 . 1 . . . . . 193 VAL CA . 27549 1 15 . 1 1 8 8 VAL CB C 13 33.100 0.2 . 1 . . . . . 193 VAL CB . 27549 1 16 . 1 1 8 8 VAL N N 15 121.50 0.2 . 1 . . . . . 193 VAL N . 27549 1 17 . 1 1 9 9 PHE H H 1 8.310 0.01 . 1 . . . . . 194 PHE H . 27549 1 18 . 1 1 9 9 PHE CA C 13 57.800 0.2 . 1 . . . . . 194 PHE CA . 27549 1 19 . 1 1 9 9 PHE CB C 13 41.700 0.2 . 1 . . . . . 194 PHE CB . 27549 1 20 . 1 1 9 9 PHE N N 15 121.100 0.2 . 1 . . . . . 194 PHE N . 27549 1 21 . 1 1 10 10 VAL H H 1 8.100 0.01 . 1 . . . . . 195 VAL H . 27549 1 22 . 1 1 10 10 VAL CA C 13 62.200 0.2 . 1 . . . . . 195 VAL CA . 27549 1 23 . 1 1 10 10 VAL CB C 13 32.900 0.2 . 1 . . . . . 195 VAL CB . 27549 1 24 . 1 1 10 10 VAL N N 15 119.300 0.2 . 1 . . . . . 195 VAL N . 27549 1 25 . 1 1 11 11 GLY H H 1 8.020 0.01 . 1 . . . . . 196 GLY H . 27549 1 26 . 1 1 11 11 GLY CA C 13 45.400 0.2 . 1 . . . . . 196 GLY CA . 27549 1 27 . 1 1 11 11 GLY N N 15 111.700 0.2 . 1 . . . . . 196 GLY N . 27549 1 28 . 1 1 12 12 ARG H H 1 8.190 0.01 . 1 . . . . . 197 ARG H . 27549 1 29 . 1 1 12 12 ARG CA C 13 56.000 0.2 . 1 . . . . . 197 ARG CA . 27549 1 30 . 1 1 12 12 ARG CB C 13 31.600 0.2 . 1 . . . . . 197 ARG CB . 27549 1 31 . 1 1 12 12 ARG N N 15 120.100 0.2 . 1 . . . . . 197 ARG N . 27549 1 32 . 1 1 13 13 CYS CA C 13 55.700 0.2 . 1 . . . . . 198 CYS H . 27549 1 33 . 1 1 13 13 CYS CB C 13 41.000 0.2 . 1 . . . . . 198 CYS N . 27549 1 34 . 1 1 14 14 THR H H 1 8.320 0.01 . 1 . . . . . 199 THR H . 27549 1 35 . 1 1 14 14 THR CA C 13 62.900 0.2 . 1 . . . . . 199 THR CA . 27549 1 36 . 1 1 14 14 THR CB C 13 69.400 0.2 . 1 . . . . . 199 THR CB . 27549 1 37 . 1 1 14 14 THR N N 15 115.800 0.2 . 1 . . . . . 199 THR N . 27549 1 38 . 1 1 15 15 GLU H H 1 8.560 0.01 . 1 . . . . . 200 GLU H . 27549 1 39 . 1 1 15 15 GLU CA C 13 58.000 0.2 . 1 . . . . . 200 GLU CA . 27549 1 40 . 1 1 15 15 GLU CB C 13 30.000 0.2 . 1 . . . . . 200 GLU CB . 27549 1 41 . 1 1 15 15 GLU N N 15 121.200 0.2 . 1 . . . . . 200 GLU N . 27549 1 42 . 1 1 16 16 ASP H H 1 8.050 0.01 . 1 . . . . . 201 ASP H . 27549 1 43 . 1 1 16 16 ASP CA C 13 54.400 0.2 . 1 . . . . . 201 ASP CA . 27549 1 44 . 1 1 16 16 ASP CB C 13 41.600 0.2 . 1 . . . . . 201 ASP CB . 27549 1 45 . 1 1 16 16 ASP N N 15 118.600 0.2 . 1 . . . . . 201 ASP N . 27549 1 46 . 1 1 17 17 MET H H 1 7.770 0.01 . 1 . . . . . 202 MET H . 27549 1 47 . 1 1 17 17 MET CA C 13 56.300 0.2 . 1 . . . . . 202 MET CA . 27549 1 48 . 1 1 17 17 MET CB C 13 34.500 0.2 . 1 . . . . . 202 MET CB . 27549 1 49 . 1 1 17 17 MET N N 15 120.100 0.2 . 1 . . . . . 202 MET N . 27549 1 50 . 1 1 18 18 THR H H 1 8.750 0.01 . 1 . . . . . 203 THR H . 27549 1 51 . 1 1 18 18 THR CA C 13 61.400 0.2 . 1 . . . . . 203 THR CA . 27549 1 52 . 1 1 18 18 THR CB C 13 70.800 0.2 . 1 . . . . . 203 THR CB . 27549 1 53 . 1 1 18 18 THR N N 15 114.000 0.2 . 1 . . . . . 203 THR N . 27549 1 54 . 1 1 19 19 GLU H H 1 8.870 0.01 . 1 . . . . . 204 GLU H . 27549 1 55 . 1 1 19 19 GLU CA C 13 59.600 0.2 . 1 . . . . . 204 GLU CA . 27549 1 56 . 1 1 19 19 GLU CB C 13 29.900 0.2 . 1 . . . . . 204 GLU CB . 27549 1 57 . 1 1 19 19 GLU N N 15 121.000 0.2 . 1 . . . . . 204 GLU N . 27549 1 58 . 1 1 20 20 ASP H H 1 8.340 0.01 . 1 . . . . . 205 ASP H . 27549 1 59 . 1 1 20 20 ASP CA C 13 57.000 0.2 . 1 . . . . . 205 ASP CA . 27549 1 60 . 1 1 20 20 ASP CB C 13 41.200 0.2 . 1 . . . . . 205 ASP CB . 27549 1 61 . 1 1 20 20 ASP N N 15 118.400 0.2 . 1 . . . . . 205 ASP N . 27549 1 62 . 1 1 21 21 GLU H H 1 7.850 0.01 . 1 . . . . . 206 GLU H . 27549 1 63 . 1 1 21 21 GLU CA C 13 58.700 0.2 . 1 . . . . . 206 GLU CA . 27549 1 64 . 1 1 21 21 GLU CB C 13 30.400 0.2 . 1 . . . . . 206 GLU CB . 27549 1 65 . 1 1 21 21 GLU N N 15 120.800 0.2 . 1 . . . . . 206 GLU N . 27549 1 66 . 1 1 22 22 LEU H H 1 8.500 0.01 . 1 . . . . . 207 LEU H . 27549 1 67 . 1 1 22 22 LEU CA C 13 57.500 0.2 . 1 . . . . . 207 LEU CA . 27549 1 68 . 1 1 22 22 LEU CB C 13 42.300 0.2 . 1 . . . . . 207 LEU CB . 27549 1 69 . 1 1 22 22 LEU N N 15 121.700 0.2 . 1 . . . . . 207 LEU N . 27549 1 70 . 1 1 23 23 ARG CA C 13 58.800 0.2 . 1 . . . . . 208 ARG CA . 27549 1 71 . 1 1 23 23 ARG CB C 13 30.200 0.2 . 1 . . . . . 208 ARG CB . 27549 1 72 . 1 1 24 24 GLU H H 1 7.920 0.01 . 1 . . . . . 209 GLU H . 27549 1 73 . 1 1 24 24 GLU CA C 13 58.500 0.2 . 1 . . . . . 209 GLU CA . 27549 1 74 . 1 1 24 24 GLU CB C 13 30.200 0.2 . 1 . . . . . 209 GLU CB . 27549 1 75 . 1 1 24 24 GLU N N 15 119.600 0.2 . 1 . . . . . 209 GLU N . 27549 1 76 . 1 1 25 25 PHE H H 1 8.380 0.01 . 1 . . . . . 210 PHE H . 27549 1 77 . 1 1 25 25 PHE CA C 13 60.400 0.2 . 1 . . . . . 210 PHE CA . 27549 1 78 . 1 1 25 25 PHE CB C 13 39.600 0.2 . 1 . . . . . 210 PHE CB . 27549 1 79 . 1 1 25 25 PHE N N 15 121.100 0.2 . 1 . . . . . 210 PHE N . 27549 1 80 . 1 1 26 26 PHE H H 1 8.420 0.01 . 1 . . . . . 211 PHE H . 27549 1 81 . 1 1 26 26 PHE CA C 13 59.300 0.2 . 1 . . . . . 211 PHE CA . 27549 1 82 . 1 1 26 26 PHE CB C 13 39.200 0.2 . 1 . . . . . 211 PHE CB . 27549 1 83 . 1 1 26 26 PHE N N 15 118.300 0.2 . 1 . . . . . 211 PHE N . 27549 1 84 . 1 1 27 27 SER H H 1 8.080 0.01 . 1 . . . . . 212 SER H . 27549 1 85 . 1 1 27 27 SER CA C 13 59.900 0.2 . 1 . . . . . 212 SER CA . 27549 1 86 . 1 1 27 27 SER CB C 13 63.600 0.2 . 1 . . . . . 212 SER CB . 27549 1 87 . 1 1 27 27 SER N N 15 116.100 0.2 . 1 . . . . . 212 SER N . 27549 1 88 . 1 1 28 28 GLN H H 1 7.950 0.01 . 1 . . . . . 213 GLN H . 27549 1 89 . 1 1 28 28 GLN CA C 13 56.800 0.2 . 1 . . . . . 213 GLN CA . 27549 1 90 . 1 1 28 28 GLN CB C 13 29.500 0.2 . 1 . . . . . 213 GLN CA . 27549 1 91 . 1 1 28 28 GLN N N 15 120.300 0.2 . 1 . . . . . 213 GLN N . 27549 1 92 . 1 1 29 29 TYR H H 1 8.030 0.01 . 1 . . . . . 214 TYR H . 27549 1 93 . 1 1 29 29 TYR CA C 13 58.200 0.2 . 1 . . . . . 214 TYR CA . 27549 1 94 . 1 1 29 29 TYR CB C 13 39.300 0.2 . 1 . . . . . 214 TYR CB . 27549 1 95 . 1 1 29 29 TYR N N 15 118.700 0.2 . 1 . . . . . 214 TYR N . 27549 1 96 . 1 1 30 30 GLY H H 1 8.100 0.01 . 1 . . . . . 215 GLY H . 27549 1 97 . 1 1 30 30 GLY CA C 13 45.600 0.2 . 1 . . . . . 215 GLY CA . 27549 1 98 . 1 1 30 30 GLY N N 15 109.400 0.2 . 1 . . . . . 215 GLY N . 27549 1 99 . 1 1 31 31 ASP H H 1 8.290 0.01 . 1 . . . . . 216 ASP H . 27549 1 100 . 1 1 31 31 ASP CA C 13 54.600 0.2 . 1 . . . . . 216 ASP CA . 27549 1 101 . 1 1 31 31 ASP N N 15 120.200 0.2 . 1 . . . . . 216 ASP N . 27549 1 102 . 1 1 34 34 ASP CA C 13 54.300 0.2 . 1 . . . . . 219 ASP CA . 27549 1 103 . 1 1 34 34 ASP CB C 13 41.700 0.2 . 1 . . . . . 219 ASP CB . 27549 1 104 . 1 1 35 35 VAL H H 1 8.100 0.01 . 1 . . . . . 220 VAL H . 27549 1 105 . 1 1 35 35 VAL CA C 13 62.300 0.2 . 1 . . . . . 220 VAL CA . 27549 1 106 . 1 1 35 35 VAL CB C 13 33.300 0.2 . 1 . . . . . 220 VAL CB . 27549 1 107 . 1 1 35 35 VAL N N 15 119.000 0.2 . 1 . . . . . 220 VAL N . 27549 1 108 . 1 1 36 36 PHE H H 1 8.280 0.01 . 1 . . . . . 221 PHE H . 27549 1 109 . 1 1 36 36 PHE CA C 13 57.900 0.2 . 1 . . . . . 221 PHE CA . 27549 1 110 . 1 1 36 36 PHE CB C 13 39.300 0.2 . 1 . . . . . 221 PHE CB . 27549 1 111 . 1 1 36 36 PHE N N 15 123.100 0.2 . 1 . . . . . 221 PHE N . 27549 1 112 . 1 1 41 41 PHE H H 1 8.090 0.01 . 1 . . . . . 226 PHE H . 27549 1 113 . 1 1 41 41 PHE CA C 13 55.500 0.2 . 1 . . . . . 226 PHE CA . 27549 1 114 . 1 1 41 41 PHE CB C 13 42.200 0.2 . 1 . . . . . 226 PHE CB . 27549 1 115 . 1 1 41 41 PHE N N 15 121.800 0.2 . 1 . . . . . 226 PHE N . 27549 1 116 . 1 1 42 42 ARG H H 1 8.490 0.01 . 1 . . . . . 227 ARG H . 27549 1 117 . 1 1 42 42 ARG CA C 13 55.700 0.2 . 1 . . . . . 227 ARG CA . 27549 1 118 . 1 1 42 42 ARG N N 15 119.000 0.2 . 1 . . . . . 227 ARG N . 27549 1 119 . 1 1 44 44 PHE H H 1 8.070 0.01 . 1 . . . . . 229 PHE H . 27549 1 120 . 1 1 44 44 PHE CA C 13 57.500 0.2 . 1 . . . . . 229 PHE CA . 27549 1 121 . 1 1 44 44 PHE CB C 13 39.900 0.2 . 1 . . . . . 229 PHE CB . 27549 1 122 . 1 1 44 44 PHE N N 15 119.100 0.2 . 1 . . . . . 229 PHE N . 27549 1 123 . 1 1 45 45 ALA H H 1 8.120 0.01 . 1 . . . . . 230 ALA H . 27549 1 124 . 1 1 45 45 ALA CA C 13 52.600 0.2 . 1 . . . . . 230 ALA CA . 27549 1 125 . 1 1 45 45 ALA CB C 13 19.500 0.2 . 1 . . . . . 230 ALA CB . 27549 1 126 . 1 1 45 45 ALA N N 15 125.000 0.2 . 1 . . . . . 230 ALA N . 27549 1 127 . 1 1 46 46 PHE H H 1 8.140 0.01 . 1 . . . . . 231 PHE H . 27549 1 128 . 1 1 46 46 PHE CA C 13 57.700 0.2 . 1 . . . . . 231 PHE CA . 27549 1 129 . 1 1 46 46 PHE CB C 13 39.900 0.2 . 1 . . . . . 231 PHE CB . 27549 1 130 . 1 1 46 46 PHE N N 15 119.000 0.2 . 1 . . . . . 231 PHE N . 27549 1 131 . 1 1 47 47 VAL H H 1 8.150 0.01 . 1 . . . . . 232 VAL H . 27549 1 132 . 1 1 47 47 VAL CA C 13 62.200 0.2 . 1 . . . . . 232 VAL CA . 27549 1 133 . 1 1 47 47 VAL CB C 13 33.200 0.2 . 1 . . . . . 232 VAL CB . 27549 1 134 . 1 1 47 47 VAL N N 15 122.500 0.2 . 1 . . . . . 232 VAL N . 27549 1 135 . 1 1 48 48 THR H H 1 8.120 0.01 . 1 . . . . . 233 THR H . 27549 1 136 . 1 1 48 48 THR CA C 13 61.500 0.2 . 1 . . . . . 233 THR CA . 27549 1 137 . 1 1 48 48 THR CB C 13 70.100 0.2 . 1 . . . . . 233 THR CB . 27549 1 138 . 1 1 48 48 THR N N 15 117.600 0.2 . 1 . . . . . 233 THR N . 27549 1 139 . 1 1 49 49 PHE H H 1 8.320 0.01 . 1 . . . . . 234 PHE H . 27549 1 140 . 1 1 49 49 PHE CA C 13 57.600 0.2 . 1 . . . . . 234 PHE CA . 27549 1 141 . 1 1 49 49 PHE CB C 13 40.000 0.2 . 1 . . . . . 234 PHE CB . 27549 1 142 . 1 1 49 49 PHE N N 15 122.400 0.2 . 1 . . . . . 234 PHE N . 27549 1 143 . 1 1 50 50 ALA H H 1 8.310 0.01 . 1 . . . . . 235 ALA H . 27549 1 144 . 1 1 50 50 ALA CA C 13 52.700 0.2 . 1 . . . . . 235 ALA CA . 27549 1 145 . 1 1 50 50 ALA CB C 13 19.700 0.2 . 1 . . . . . 235 ALA CB . 27549 1 146 . 1 1 50 50 ALA N N 15 125.100 0.2 . 1 . . . . . 235 ALA N . 27549 1 147 . 1 1 51 51 ASP H H 1 8.230 0.01 . 1 . . . . . 236 ASP H . 27549 1 148 . 1 1 51 51 ASP CA C 13 56.000 0.2 . 1 . . . . . 236 ASP CA . 27549 1 149 . 1 1 51 51 ASP CB C 13 41.300 0.2 . 1 . . . . . 236 ASP CB . 27549 1 150 . 1 1 51 51 ASP N N 15 119.600 0.2 . 1 . . . . . 236 ASP N . 27549 1 151 . 1 1 52 52 ASP H H 1 8.730 0.01 . 1 . . . . . 237 ASP H . 27549 1 152 . 1 1 52 52 ASP CA C 13 54.700 0.2 . 1 . . . . . 237 ASP CA . 27549 1 153 . 1 1 52 52 ASP CB C 13 41.300 0.2 . 1 . . . . . 237 ASP CB . 27549 1 154 . 1 1 52 52 ASP N N 15 120.600 0.2 . 1 . . . . . 237 ASP N . 27549 1 155 . 1 1 54 54 ILE H H 1 8.050 0.01 . 1 . . . . . 239 ILE H . 27549 1 156 . 1 1 54 54 ILE CA C 13 61.500 0.2 . 1 . . . . . 239 ILE CA . 27549 1 157 . 1 1 54 54 ILE CB C 13 38.800 0.2 . 1 . . . . . 239 ILE CB . 27549 1 158 . 1 1 54 54 ILE N N 15 121.200 0.2 . 1 . . . . . 239 ILE N . 27549 1 159 . 1 1 55 55 ALA H H 1 8.320 0.01 . 1 . . . . . 240 ALA H . 27549 1 160 . 1 1 55 55 ALA CA C 13 52.900 0.2 . 1 . . . . . 240 ALA CA . 27549 1 161 . 1 1 55 55 ALA CB C 13 19.300 0.2 . 1 . . . . . 240 ALA CB . 27549 1 162 . 1 1 55 55 ALA N N 15 127.500 0.2 . 1 . . . . . 240 ALA N . 27549 1 163 . 1 1 56 56 GLN H H 1 8.290 0.01 . 1 . . . . . 241 GLN H . 27549 1 164 . 1 1 56 56 GLN CA C 13 56.200 0.2 . 1 . . . . . 241 GLN CA . 27549 1 165 . 1 1 56 56 GLN CB C 13 29.900 0.2 . 1 . . . . . 241 GLN CB . 27549 1 166 . 1 1 56 56 GLN N N 15 119.400 0.2 . 1 . . . . . 241 GLN N . 27549 1 167 . 1 1 57 57 SER H H 1 8.350 0.01 . 1 . . . . . 242 SER H . 27549 1 168 . 1 1 57 57 SER CA C 13 58.600 0.2 . 1 . . . . . 242 SER CA . 27549 1 169 . 1 1 57 57 SER CB C 13 63.800 0.2 . 1 . . . . . 242 SER CB . 27549 1 170 . 1 1 57 57 SER N N 15 116.800 0.2 . 1 . . . . . 242 SER N . 27549 1 171 . 1 1 58 58 LEU H H 1 8.370 0.01 . 1 . . . . . 243 LEU H . 27549 1 172 . 1 1 58 58 LEU CA C 13 55.600 0.2 . 1 . . . . . 243 LEU CA . 27549 1 173 . 1 1 58 58 LEU CB C 13 42.500 0.2 . 1 . . . . . 243 LEU CB . 27549 1 174 . 1 1 58 58 LEU N N 15 124.000 0.2 . 1 . . . . . 243 LEU N . 27549 1 175 . 1 1 59 59 CYS CA C 13 55.600 0.2 . 1 . . . . . 244 CYS CA . 27549 1 176 . 1 1 59 59 CYS CB C 13 41.500 0.2 . 1 . . . . . 244 CYS CB . 27549 1 177 . 1 1 60 60 GLY H H 1 8.480 0.01 . 1 . . . . . 245 GLY H . 27549 1 178 . 1 1 60 60 GLY CA C 13 45.700 0.2 . 1 . . . . . 245 GLY CA . 27549 1 179 . 1 1 60 60 GLY N N 15 110.800 0.2 . 1 . . . . . 245 GLY N . 27549 1 180 . 1 1 61 61 GLU H H 1 8.360 0.01 . 1 . . . . . 246 GLU H . 27549 1 181 . 1 1 61 61 GLU CA C 13 56.900 0.2 . 1 . . . . . 246 GLU CA . 27549 1 182 . 1 1 61 61 GLU CB C 13 30.600 0.2 . 1 . . . . . 246 GLU CB . 27549 1 183 . 1 1 61 61 GLU N N 15 120.700 0.2 . 1 . . . . . 246 GLU N . 27549 1 184 . 1 1 62 62 ASP H H 1 8.450 0.01 . 1 . . . . . 247 ASP H . 27549 1 185 . 1 1 62 62 ASP CA C 13 54.700 0.2 . 1 . . . . . 247 ASP CA . 27549 1 186 . 1 1 62 62 ASP CB C 13 41.300 0.2 . 1 . . . . . 247 ASP CB . 27549 1 187 . 1 1 62 62 ASP N N 15 120.700 0.2 . 1 . . . . . 247 ASP N . 27549 1 188 . 1 1 63 63 LEU H H 1 8.260 0.01 . 1 . . . . . 248 LEU H . 27549 1 189 . 1 1 63 63 LEU CA C 13 54.800 0.2 . 1 . . . . . 248 LEU CA . 27549 1 190 . 1 1 63 63 LEU CB C 13 41.300 0.2 . 1 . . . . . 248 LEU CB . 27549 1 191 . 1 1 63 63 LEU N N 15 120.000 0.2 . 1 . . . . . 248 LEU N . 27549 1 192 . 1 1 64 64 ILE H H 1 7.890 0.01 . 1 . . . . . 249 ILE H . 27549 1 193 . 1 1 64 64 ILE CA C 13 62.100 0.2 . 1 . . . . . 249 ILE CA . 27549 1 194 . 1 1 64 64 ILE CB C 13 36.000 0.2 . 1 . . . . . 249 ILE CB . 27549 1 195 . 1 1 64 64 ILE N N 15 118.700 0.2 . 1 . . . . . 249 ILE N . 27549 1 196 . 1 1 65 65 ILE CA C 13 61.200 0.2 . 1 . . . . . 250 ILE CA . 27549 1 197 . 1 1 65 65 ILE CB C 13 38.900 0.2 . 1 . . . . . 250 ILE CB . 27549 1 198 . 1 1 66 66 LYS H H 1 8.410 0.01 . 1 . . . . . 251 LYS H . 27549 1 199 . 1 1 66 66 LYS CA C 13 56.700 0.2 . 1 . . . . . 251 LYS CA . 27549 1 200 . 1 1 66 66 LYS CB C 13 36.300 0.2 . 1 . . . . . 251 LYS CB . 27549 1 201 . 1 1 66 66 LYS N N 15 125.500 0.2 . 1 . . . . . 251 LYS N . 27549 1 202 . 1 1 67 67 GLY H H 1 8.260 0.01 . 1 . . . . . 252 GLY H . 27549 1 203 . 1 1 67 67 GLY CA C 13 45.500 0.2 . 1 . . . . . 252 GLY CA . 27549 1 204 . 1 1 67 67 GLY N N 15 109.400 0.2 . 1 . . . . . 252 GLY N . 27549 1 205 . 1 1 68 68 ILE H H 1 8.000 0.01 . 1 . . . . . 253 ILE H . 27549 1 206 . 1 1 68 68 ILE CA C 13 61.100 0.2 . 1 . . . . . 253 ILE CA . 27549 1 207 . 1 1 68 68 ILE CB C 13 39.300 0.2 . 1 . . . . . 253 ILE CB . 27549 1 208 . 1 1 68 68 ILE N N 15 119.600 0.2 . 1 . . . . . 253 ILE N . 27549 1 209 . 1 1 69 69 SER H H 1 8.420 0.01 . 1 . . . . . 254 SER H . 27549 1 210 . 1 1 69 69 SER CA C 13 58.200 0.2 . 1 . . . . . 254 SER CA . 27549 1 211 . 1 1 69 69 SER CB C 13 63.900 0.2 . 1 . . . . . 254 SER CB . 27549 1 212 . 1 1 69 69 SER N N 15 119.900 0.2 . 1 . . . . . 254 SER N . 27549 1 213 . 1 1 70 70 VAL H H 1 8.170 0.01 . 1 . . . . . 255 VAL H . 27549 1 214 . 1 1 70 70 VAL CA C 13 62.100 0.2 . 1 . . . . . 255 VAL CA . 27549 1 215 . 1 1 70 70 VAL CB C 13 33.300 0.2 . 1 . . . . . 255 VAL CB . 27549 1 216 . 1 1 70 70 VAL N N 15 121.800 0.2 . 1 . . . . . 255 VAL N . 27549 1 217 . 1 1 71 71 HIS CA C 13 55.900 0.2 . 1 . . . . . 256 HIS CA . 27549 1 218 . 1 1 71 71 HIS CB C 13 30.800 0.2 . 1 . . . . . 256 HIS CB . 27549 1 219 . 1 1 72 72 ILE H H 1 8.210 0.01 . 1 . . . . . 257 ILE H . 27549 1 220 . 1 1 72 72 ILE CA C 13 61.000 0.2 . 1 . . . . . 257 ILE CA . 27549 1 221 . 1 1 72 72 ILE CB C 13 39.000 0.2 . 1 . . . . . 257 ILE CB . 27549 1 222 . 1 1 72 72 ILE N N 15 123.900 0.2 . 1 . . . . . 257 ILE N . 27549 1 223 . 1 1 73 73 SER H H 1 8.460 0.01 . 1 . . . . . 258 SER H . 27549 1 224 . 1 1 73 73 SER CA C 13 58.200 0.2 . 1 . . . . . 258 SER CA . 27549 1 225 . 1 1 73 73 SER CB C 13 64.000 0.2 . 1 . . . . . 258 SER CB . 27549 1 226 . 1 1 73 73 SER N N 15 120.000 0.2 . 1 . . . . . 258 SER N . 27549 1 227 . 1 1 74 74 ASN H H 1 8.530 0.01 . 1 . . . . . 259 ASN H . 27549 1 228 . 1 1 74 74 ASN CA C 13 53.300 0.2 . 1 . . . . . 259 ASN CA . 27549 1 229 . 1 1 74 74 ASN CB C 13 39.100 0.2 . 1 . . . . . 259 ASN CB . 27549 1 230 . 1 1 74 74 ASN N N 15 121.400 0.2 . 1 . . . . . 259 ASN N . 27549 1 231 . 1 1 75 75 ALA H H 1 8.250 0.01 . 1 . . . . . 260 ALA H . 27549 1 232 . 1 1 75 75 ALA CA C 13 52.500 0.2 . 1 . . . . . 260 ALA CA . 27549 1 233 . 1 1 75 75 ALA CB C 13 19.600 0.2 . 1 . . . . . 260 ALA CB . 27549 1 234 . 1 1 75 75 ALA N N 15 124.500 0.2 . 1 . . . . . 260 ALA N . 27549 1 235 . 1 1 76 76 GLU H H 1 8.060 0.01 . 1 . . . . . 261 GLU H . 27549 1 236 . 1 1 76 76 GLU CA C 13 57.700 0.2 . 1 . . . . . 261 GLU CA . 27549 1 237 . 1 1 76 76 GLU N N 15 119.200 0.2 . 1 . . . . . 261 GLU N . 27549 1 stop_ save_