################################### # 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 18371 _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 1H-15N HSQC' . . . 18371 1 2 '3D CBCANH' . . . 18371 1 3 '3D CBCA(CO)NH' . . . 18371 1 4 '3D HNCA' . . . 18371 1 5 '3D HN(CO)CA' . . . 18371 1 6 '3D HN(CA)CO' . . . 18371 1 7 '3D HNCO' . . . 18371 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 7 7 ASP H H 1 8.322 0.04 . 1 . . . . 190 ASP H . 18371 1 2 . 1 1 7 7 ASP C C 13 176.261 0.40 . 1 . . . . 190 ASP C . 18371 1 3 . 1 1 7 7 ASP CA C 13 54.673 0.40 . 1 . . . . 190 ASP CA . 18371 1 4 . 1 1 7 7 ASP CB C 13 41.160 0.40 . 1 . . . . 190 ASP CB . 18371 1 5 . 1 1 7 7 ASP N N 15 122.469 0.40 . 1 . . . . 190 ASP N . 18371 1 6 . 1 1 8 8 ASP H H 1 8.284 0.04 . 1 . . . . 191 ASP H . 18371 1 7 . 1 1 8 8 ASP C C 13 176.790 0.40 . 1 . . . . 191 ASP C . 18371 1 8 . 1 1 8 8 ASP CA C 13 54.505 0.40 . 1 . . . . 191 ASP CA . 18371 1 9 . 1 1 8 8 ASP CB C 13 41.112 0.40 . 1 . . . . 191 ASP CB . 18371 1 10 . 1 1 8 8 ASP N N 15 122.390 0.40 . 1 . . . . 191 ASP N . 18371 1 11 . 1 1 10 10 ALA H H 1 8.344 0.04 . 1 . . . . 193 ALA H . 18371 1 12 . 1 1 10 10 ALA C C 13 178.737 0.40 . 1 . . . . 193 ALA C . 18371 1 13 . 1 1 10 10 ALA CA C 13 54.416 0.40 . 1 . . . . 193 ALA CA . 18371 1 14 . 1 1 10 10 ALA CB C 13 17.798 0.40 . 1 . . . . 193 ALA CB . 18371 1 15 . 1 1 10 10 ALA N N 15 123.745 0.40 . 1 . . . . 193 ALA N . 18371 1 16 . 1 1 11 11 ALA H H 1 7.968 0.04 . 1 . . . . 194 ALA H . 18371 1 17 . 1 1 11 11 ALA C C 13 180.572 0.40 . 1 . . . . 194 ALA C . 18371 1 18 . 1 1 11 11 ALA CA C 13 55.013 0.40 . 1 . . . . 194 ALA CA . 18371 1 19 . 1 1 11 11 ALA CB C 13 17.955 0.40 . 1 . . . . 194 ALA CB . 18371 1 20 . 1 1 11 11 ALA N N 15 122.142 0.40 . 1 . . . . 194 ALA N . 18371 1 21 . 1 1 12 12 GLU H H 1 7.893 0.04 . 1 . . . . 195 GLU H . 18371 1 22 . 1 1 12 12 GLU C C 13 179.431 0.40 . 1 . . . . 195 GLU C . 18371 1 23 . 1 1 12 12 GLU CA C 13 58.555 0.40 . 1 . . . . 195 GLU CA . 18371 1 24 . 1 1 12 12 GLU CB C 13 29.225 0.40 . 1 . . . . 195 GLU CB . 18371 1 25 . 1 1 12 12 GLU N N 15 121.050 0.40 . 1 . . . . 195 GLU N . 18371 1 26 . 1 1 13 13 LEU H H 1 8.105 0.04 . 1 . . . . 196 LEU H . 18371 1 27 . 1 1 13 13 LEU C C 13 178.785 0.40 . 1 . . . . 196 LEU C . 18371 1 28 . 1 1 13 13 LEU CA C 13 58.326 0.40 . 1 . . . . 196 LEU CA . 18371 1 29 . 1 1 13 13 LEU CB C 13 43.047 0.40 . 1 . . . . 196 LEU CB . 18371 1 30 . 1 1 13 13 LEU N N 15 123.103 0.40 . 1 . . . . 196 LEU N . 18371 1 31 . 1 1 14 14 MET H H 1 8.443 0.04 . 1 . . . . 197 MET H . 18371 1 32 . 1 1 14 14 MET C C 13 178.481 0.40 . 1 . . . . 197 MET C . 18371 1 33 . 1 1 14 14 MET CA C 13 58.192 0.40 . 1 . . . . 197 MET CA . 18371 1 34 . 1 1 14 14 MET CB C 13 32.169 0.40 . 1 . . . . 197 MET CB . 18371 1 35 . 1 1 14 14 MET N N 15 120.043 0.40 . 1 . . . . 197 MET N . 18371 1 36 . 1 1 15 15 GLN H H 1 7.596 0.04 . 1 . . . . 198 GLN H . 18371 1 37 . 1 1 15 15 GLN C C 13 178.151 0.40 . 1 . . . . 198 GLN C . 18371 1 38 . 1 1 15 15 GLN CA C 13 58.862 0.40 . 1 . . . . 198 GLN CA . 18371 1 39 . 1 1 15 15 GLN CB C 13 27.581 0.40 . 1 . . . . 198 GLN CB . 18371 1 40 . 1 1 15 15 GLN N N 15 120.118 0.40 . 1 . . . . 198 GLN N . 18371 1 41 . 1 1 16 16 GLN H H 1 7.804 0.04 . 1 . . . . 199 GLN H . 18371 1 42 . 1 1 16 16 GLN CA C 13 59.122 0.40 . 1 . . . . 199 GLN CA . 18371 1 43 . 1 1 16 16 GLN CB C 13 28.115 0.40 . 1 . . . . 199 GLN CB . 18371 1 44 . 1 1 16 16 GLN N N 15 121.292 0.40 . 1 . . . . 199 GLN N . 18371 1 45 . 1 1 17 17 VAL H H 1 8.344 0.04 . 1 . . . . 200 VAL H . 18371 1 46 . 1 1 17 17 VAL C C 13 177.127 0.40 . 1 . . . . 200 VAL C . 18371 1 47 . 1 1 17 17 VAL CA C 13 67.557 0.40 . 1 . . . . 200 VAL CA . 18371 1 48 . 1 1 17 17 VAL CB C 13 30.115 0.40 . 1 . . . . 200 VAL CB . 18371 1 49 . 1 1 17 17 VAL N N 15 121.572 0.40 . 1 . . . . 200 VAL N . 18371 1 50 . 1 1 18 18 ASN H H 1 7.990 0.04 . 1 . . . . 201 ASN H . 18371 1 51 . 1 1 18 18 ASN C C 13 179.678 0.40 . 1 . . . . 201 ASN C . 18371 1 52 . 1 1 18 18 ASN CA C 13 57.317 0.40 . 1 . . . . 201 ASN CA . 18371 1 53 . 1 1 18 18 ASN CB C 13 39.976 0.40 . 1 . . . . 201 ASN CB . 18371 1 54 . 1 1 18 18 ASN N N 15 120.015 0.40 . 1 . . . . 201 ASN N . 18371 1 55 . 1 1 19 19 VAL H H 1 7.274 0.04 . 1 . . . . 202 VAL H . 18371 1 56 . 1 1 19 19 VAL C C 13 178.517 0.40 . 1 . . . . 202 VAL C . 18371 1 57 . 1 1 19 19 VAL CA C 13 63.862 0.40 . 1 . . . . 202 VAL CA . 18371 1 58 . 1 1 19 19 VAL N N 15 121.322 0.40 . 1 . . . . 202 VAL N . 18371 1 59 . 1 1 21 21 LYS H H 1 8.736 0.04 . 1 . . . . 204 LYS H . 18371 1 60 . 1 1 21 21 LYS C C 13 179.834 0.40 . 1 . . . . 204 LYS C . 18371 1 61 . 1 1 21 21 LYS CA C 13 60.899 0.40 . 1 . . . . 204 LYS CA . 18371 1 62 . 1 1 21 21 LYS CB C 13 32.228 0.40 . 1 . . . . 204 LYS CB . 18371 1 63 . 1 1 21 21 LYS N N 15 121.171 0.40 . 1 . . . . 204 LYS N . 18371 1 64 . 1 1 22 22 LEU H H 1 7.505 0.04 . 1 . . . . 205 LEU H . 18371 1 65 . 1 1 22 22 LEU C C 13 178.750 0.40 . 1 . . . . 205 LEU C . 18371 1 66 . 1 1 22 22 LEU CA C 13 58.101 0.40 . 1 . . . . 205 LEU CA . 18371 1 67 . 1 1 22 22 LEU CB C 13 41.201 0.40 . 1 . . . . 205 LEU CB . 18371 1 68 . 1 1 22 22 LEU N N 15 121.992 0.40 . 1 . . . . 205 LEU N . 18371 1 69 . 1 1 25 25 GLU H H 1 7.572 0.04 . 1 . . . . 208 GLU H . 18371 1 70 . 1 1 25 25 GLU C C 13 179.521 0.40 . 1 . . . . 208 GLU C . 18371 1 71 . 1 1 25 25 GLU CA C 13 59.626 0.40 . 1 . . . . 208 GLU CA . 18371 1 72 . 1 1 25 25 GLU CB C 13 29.484 0.40 . 1 . . . . 208 GLU CB . 18371 1 73 . 1 1 25 25 GLU N N 15 120.135 0.40 . 1 . . . . 208 GLU N . 18371 1 74 . 1 1 26 26 ASP H H 1 8.066 0.04 . 1 . . . . 209 ASP H . 18371 1 75 . 1 1 26 26 ASP CA C 13 57.463 0.40 . 1 . . . . 209 ASP CA . 18371 1 76 . 1 1 26 26 ASP CB C 13 40.426 0.40 . 1 . . . . 209 ASP CB . 18371 1 77 . 1 1 26 26 ASP N N 15 121.710 0.40 . 1 . . . . 209 ASP N . 18371 1 78 . 1 1 28 28 GLU H H 1 8.895 0.04 . 1 . . . . 211 GLU H . 18371 1 79 . 1 1 28 28 GLU C C 13 178.265 0.40 . 1 . . . . 211 GLU C . 18371 1 80 . 1 1 28 28 GLU CA C 13 60.586 0.40 . 1 . . . . 211 GLU CA . 18371 1 81 . 1 1 28 28 GLU CB C 13 29.728 0.40 . 1 . . . . 211 GLU CB . 18371 1 82 . 1 1 28 28 GLU N N 15 121.796 0.40 . 1 . . . . 211 GLU N . 18371 1 83 . 1 1 29 29 LYS H H 1 7.534 0.04 . 1 . . . . 212 LYS H . 18371 1 84 . 1 1 29 29 LYS C C 13 179.640 0.40 . 1 . . . . 212 LYS C . 18371 1 85 . 1 1 29 29 LYS CA C 13 59.801 0.40 . 1 . . . . 212 LYS CA . 18371 1 86 . 1 1 29 29 LYS CB C 13 32.175 0.40 . 1 . . . . 212 LYS CB . 18371 1 87 . 1 1 29 29 LYS N N 15 119.139 0.40 . 1 . . . . 212 LYS N . 18371 1 88 . 1 1 30 30 GLU H H 1 7.864 0.04 . 1 . . . . 213 GLU H . 18371 1 89 . 1 1 30 30 GLU C C 13 177.440 0.40 . 1 . . . . 213 GLU C . 18371 1 90 . 1 1 30 30 GLU CA C 13 59.743 0.40 . 1 . . . . 213 GLU CA . 18371 1 91 . 1 1 30 30 GLU N N 15 123.408 0.40 . 1 . . . . 213 GLU N . 18371 1 92 . 1 1 31 31 ARG H H 1 8.968 0.04 . 1 . . . . 214 ARG H . 18371 1 93 . 1 1 31 31 ARG C C 13 178.736 0.40 . 1 . . . . 214 ARG C . 18371 1 94 . 1 1 31 31 ARG CA C 13 61.083 0.40 . 1 . . . . 214 ARG CA . 18371 1 95 . 1 1 31 31 ARG N N 15 120.818 0.40 . 1 . . . . 214 ARG N . 18371 1 96 . 1 1 32 32 ASP H H 1 8.800 0.04 . 1 . . . . 215 ASP H . 18371 1 97 . 1 1 32 32 ASP C C 13 178.996 0.40 . 1 . . . . 215 ASP C . 18371 1 98 . 1 1 32 32 ASP CA C 13 57.521 0.40 . 1 . . . . 215 ASP CA . 18371 1 99 . 1 1 32 32 ASP CB C 13 39.465 0.40 . 1 . . . . 215 ASP CB . 18371 1 100 . 1 1 32 32 ASP N N 15 120.853 0.40 . 1 . . . . 215 ASP N . 18371 1 101 . 1 1 33 33 PHE H H 1 8.184 0.04 . 1 . . . . 216 PHE H . 18371 1 102 . 1 1 33 33 PHE CA C 13 60.204 0.40 . 1 . . . . 216 PHE CA . 18371 1 103 . 1 1 33 33 PHE CB C 13 39.078 0.40 . 1 . . . . 216 PHE CB . 18371 1 104 . 1 1 33 33 PHE N N 15 126.548 0.40 . 1 . . . . 216 PHE N . 18371 1 105 . 1 1 34 34 TYR H H 1 8.149 0.04 . 1 . . . . 217 TYR H . 18371 1 106 . 1 1 34 34 TYR C C 13 178.096 0.40 . 1 . . . . 217 TYR C . 18371 1 107 . 1 1 34 34 TYR CA C 13 58.584 0.40 . 1 . . . . 217 TYR CA . 18371 1 108 . 1 1 34 34 TYR N N 15 120.308 0.40 . 1 . . . . 217 TYR N . 18371 1 109 . 1 1 35 35 PHE H H 1 9.130 0.04 . 1 . . . . 218 PHE H . 18371 1 110 . 1 1 35 35 PHE C C 13 177.350 0.40 . 1 . . . . 218 PHE C . 18371 1 111 . 1 1 35 35 PHE CA C 13 61.685 0.40 . 1 . . . . 218 PHE CA . 18371 1 112 . 1 1 35 35 PHE N N 15 122.189 0.40 . 1 . . . . 218 PHE N . 18371 1 113 . 1 1 36 36 GLY H H 1 8.433 0.04 . 1 . . . . 219 GLY H . 18371 1 114 . 1 1 36 36 GLY C C 13 176.660 0.40 . 1 . . . . 219 GLY C . 18371 1 115 . 1 1 36 36 GLY CA C 13 46.921 0.40 . 1 . . . . 219 GLY CA . 18371 1 116 . 1 1 36 36 GLY N N 15 107.122 0.40 . 1 . . . . 219 GLY N . 18371 1 117 . 1 1 37 37 LYS H H 1 7.197 0.04 . 1 . . . . 220 LYS H . 18371 1 118 . 1 1 37 37 LYS C C 13 178.306 0.40 . 1 . . . . 220 LYS C . 18371 1 119 . 1 1 37 37 LYS CA C 13 60.556 0.40 . 1 . . . . 220 LYS CA . 18371 1 120 . 1 1 37 37 LYS N N 15 122.386 0.40 . 1 . . . . 220 LYS N . 18371 1 121 . 1 1 38 38 LEU H H 1 7.502 0.04 . 1 . . . . 221 LEU H . 18371 1 122 . 1 1 38 38 LEU CA C 13 58.160 0.40 . 1 . . . . 221 LEU CA . 18371 1 123 . 1 1 38 38 LEU CB C 13 40.281 0.40 . 1 . . . . 221 LEU CB . 18371 1 124 . 1 1 38 38 LEU N N 15 120.660 0.40 . 1 . . . . 221 LEU N . 18371 1 125 . 1 1 39 39 ARG H H 1 8.121 0.04 . 1 . . . . 222 ARG H . 18371 1 126 . 1 1 39 39 ARG CA C 13 58.313 0.40 . 1 . . . . 222 ARG CA . 18371 1 127 . 1 1 39 39 ARG CB C 13 29.052 0.40 . 1 . . . . 222 ARG CB . 18371 1 128 . 1 1 39 39 ARG N N 15 121.096 0.40 . 1 . . . . 222 ARG N . 18371 1 129 . 1 1 40 40 ASN H H 1 7.736 0.04 . 1 . . . . 223 ASN H . 18371 1 130 . 1 1 40 40 ASN CA C 13 56.190 0.40 . 1 . . . . 223 ASN CA . 18371 1 131 . 1 1 40 40 ASN CB C 13 38.413 0.40 . 1 . . . . 223 ASN CB . 18371 1 132 . 1 1 40 40 ASN N N 15 119.851 0.40 . 1 . . . . 223 ASN N . 18371 1 133 . 1 1 41 41 ILE H H 1 8.319 0.04 . 1 . . . . 224 ILE H . 18371 1 134 . 1 1 41 41 ILE C C 13 177.180 0.40 . 1 . . . . 224 ILE C . 18371 1 135 . 1 1 41 41 ILE CA C 13 55.952 0.40 . 1 . . . . 224 ILE CA . 18371 1 136 . 1 1 41 41 ILE CB C 13 38.254 0.40 . 1 . . . . 224 ILE CB . 18371 1 137 . 1 1 41 41 ILE N N 15 124.166 0.40 . 1 . . . . 224 ILE N . 18371 1 138 . 1 1 42 42 GLU H H 1 8.573 0.04 . 1 . . . . 225 GLU H . 18371 1 139 . 1 1 42 42 GLU C C 13 178.242 0.40 . 1 . . . . 225 GLU C . 18371 1 140 . 1 1 42 42 GLU CA C 13 60.372 0.40 . 1 . . . . 225 GLU CA . 18371 1 141 . 1 1 42 42 GLU CB C 13 29.260 0.40 . 1 . . . . 225 GLU CB . 18371 1 142 . 1 1 42 42 GLU N N 15 124.773 0.40 . 1 . . . . 225 GLU N . 18371 1 143 . 1 1 43 43 LEU H H 1 7.644 0.04 . 1 . . . . 226 LEU H . 18371 1 144 . 1 1 43 43 LEU C C 13 179.612 0.40 . 1 . . . . 226 LEU C . 18371 1 145 . 1 1 43 43 LEU CA C 13 58.374 0.40 . 1 . . . . 226 LEU CA . 18371 1 146 . 1 1 43 43 LEU CB C 13 41.524 0.40 . 1 . . . . 226 LEU CB . 18371 1 147 . 1 1 43 43 LEU N N 15 120.147 0.40 . 1 . . . . 226 LEU N . 18371 1 148 . 1 1 44 44 ILE H H 1 7.374 0.04 . 1 . . . . 227 ILE H . 18371 1 149 . 1 1 44 44 ILE C C 13 179.219 0.40 . 1 . . . . 227 ILE C . 18371 1 150 . 1 1 44 44 ILE CA C 13 64.968 0.40 . 1 . . . . 227 ILE CA . 18371 1 151 . 1 1 44 44 ILE CB C 13 37.400 0.40 . 1 . . . . 227 ILE CB . 18371 1 152 . 1 1 44 44 ILE N N 15 121.683 0.40 . 1 . . . . 227 ILE N . 18371 1 153 . 1 1 45 45 CYS H H 1 8.092 0.04 . 1 . . . . 228 CYS H . 18371 1 154 . 1 1 45 45 CYS C C 13 177.341 0.40 . 1 . . . . 228 CYS C . 18371 1 155 . 1 1 45 45 CYS CA C 13 64.789 0.40 . 1 . . . . 228 CYS CA . 18371 1 156 . 1 1 45 45 CYS CB C 13 26.327 0.40 . 1 . . . . 228 CYS CB . 18371 1 157 . 1 1 45 45 CYS N N 15 120.308 0.40 . 1 . . . . 228 CYS N . 18371 1 158 . 1 1 46 46 GLN H H 1 8.278 0.04 . 1 . . . . 229 GLN H . 18371 1 159 . 1 1 46 46 GLN C C 13 178.526 0.40 . 1 . . . . 229 GLN C . 18371 1 160 . 1 1 46 46 GLN CA C 13 58.385 0.40 . 1 . . . . 229 GLN CA . 18371 1 161 . 1 1 46 46 GLN CB C 13 28.323 0.40 . 1 . . . . 229 GLN CB . 18371 1 162 . 1 1 46 46 GLN N N 15 121.159 0.40 . 1 . . . . 229 GLN N . 18371 1 163 . 1 1 47 47 GLU H H 1 7.915 0.04 . 1 . . . . 230 GLU H . 18371 1 164 . 1 1 47 47 GLU CA C 13 58.274 0.40 . 1 . . . . 230 GLU CA . 18371 1 165 . 1 1 47 47 GLU CB C 13 29.739 0.40 . 1 . . . . 230 GLU CB . 18371 1 166 . 1 1 47 47 GLU N N 15 120.804 0.40 . 1 . . . . 230 GLU N . 18371 1 167 . 1 1 48 48 ASN H H 1 7.349 0.04 . 1 . . . . 231 ASN H . 18371 1 168 . 1 1 48 48 ASN C C 13 174.583 0.40 . 1 . . . . 231 ASN C . 18371 1 169 . 1 1 48 48 ASN CA C 13 53.454 0.40 . 1 . . . . 231 ASN CA . 18371 1 170 . 1 1 48 48 ASN CB C 13 40.446 0.40 . 1 . . . . 231 ASN CB . 18371 1 171 . 1 1 48 48 ASN N N 15 117.480 0.40 . 1 . . . . 231 ASN N . 18371 1 172 . 1 1 49 49 GLU H H 1 7.734 0.04 . 1 . . . . 232 GLU H . 18371 1 173 . 1 1 49 49 GLU C C 13 177.415 0.40 . 1 . . . . 232 GLU C . 18371 1 174 . 1 1 49 49 GLU CA C 13 58.237 0.40 . 1 . . . . 232 GLU CA . 18371 1 175 . 1 1 49 49 GLU CB C 13 29.350 0.40 . 1 . . . . 232 GLU CB . 18371 1 176 . 1 1 49 49 GLU N N 15 123.603 0.40 . 1 . . . . 232 GLU N . 18371 1 177 . 1 1 50 50 GLY H H 1 8.593 0.04 . 1 . . . . 233 GLY H . 18371 1 178 . 1 1 50 50 GLY C C 13 174.303 0.40 . 1 . . . . 233 GLY C . 18371 1 179 . 1 1 50 50 GLY CA C 13 45.980 0.40 . 1 . . . . 233 GLY CA . 18371 1 180 . 1 1 50 50 GLY N N 15 110.691 0.40 . 1 . . . . 233 GLY N . 18371 1 181 . 1 1 51 51 GLU H H 1 7.919 0.04 . 1 . . . . 234 GLU H . 18371 1 182 . 1 1 51 51 GLU C C 13 176.498 0.40 . 1 . . . . 234 GLU C . 18371 1 183 . 1 1 51 51 GLU CA C 13 56.484 0.40 . 1 . . . . 234 GLU CA . 18371 1 184 . 1 1 51 51 GLU CB C 13 29.492 0.40 . 1 . . . . 234 GLU CB . 18371 1 185 . 1 1 51 51 GLU N N 15 120.259 0.40 . 1 . . . . 234 GLU N . 18371 1 186 . 1 1 52 52 ASN H H 1 8.249 0.04 . 1 . . . . 235 ASN H . 18371 1 187 . 1 1 52 52 ASN C C 13 174.451 0.40 . 1 . . . . 235 ASN C . 18371 1 188 . 1 1 52 52 ASN CA C 13 53.382 0.40 . 1 . . . . 235 ASN CA . 18371 1 189 . 1 1 52 52 ASN CB C 13 38.115 0.40 . 1 . . . . 235 ASN CB . 18371 1 190 . 1 1 52 52 ASN N N 15 119.689 0.40 . 1 . . . . 235 ASN N . 18371 1 191 . 1 1 53 53 ASP H H 1 8.320 0.04 . 1 . . . . 236 ASP H . 18371 1 192 . 1 1 53 53 ASP CA C 13 52.784 0.40 . 1 . . . . 236 ASP CA . 18371 1 193 . 1 1 53 53 ASP CB C 13 42.695 0.40 . 1 . . . . 236 ASP CB . 18371 1 194 . 1 1 53 53 ASP N N 15 124.238 0.40 . 1 . . . . 236 ASP N . 18371 1 195 . 1 1 55 55 VAL H H 1 8.065 0.04 . 1 . . . . 238 VAL H . 18371 1 196 . 1 1 55 55 VAL C C 13 177.863 0.40 . 1 . . . . 238 VAL C . 18371 1 197 . 1 1 55 55 VAL CA C 13 66.409 0.40 . 1 . . . . 238 VAL CA . 18371 1 198 . 1 1 55 55 VAL N N 15 121.774 0.40 . 1 . . . . 238 VAL N . 18371 1 199 . 1 1 56 56 LEU H H 1 7.803 0.04 . 1 . . . . 239 LEU H . 18371 1 200 . 1 1 56 56 LEU C C 13 179.441 0.40 . 1 . . . . 239 LEU C . 18371 1 201 . 1 1 56 56 LEU CA C 13 57.801 0.40 . 1 . . . . 239 LEU CA . 18371 1 202 . 1 1 56 56 LEU CB C 13 40.652 0.40 . 1 . . . . 239 LEU CB . 18371 1 203 . 1 1 56 56 LEU N N 15 121.064 0.40 . 1 . . . . 239 LEU N . 18371 1 204 . 1 1 57 57 GLN H H 1 8.185 0.04 . 1 . . . . 240 GLN H . 18371 1 205 . 1 1 57 57 GLN C C 13 177.763 0.40 . 1 . . . . 240 GLN C . 18371 1 206 . 1 1 57 57 GLN CA C 13 58.603 0.40 . 1 . . . . 240 GLN CA . 18371 1 207 . 1 1 57 57 GLN CB C 13 27.959 0.40 . 1 . . . . 240 GLN CB . 18371 1 208 . 1 1 57 57 GLN N N 15 118.407 0.40 . 1 . . . . 240 GLN N . 18371 1 209 . 1 1 58 58 ARG H H 1 7.323 0.04 . 1 . . . . 241 ARG H . 18371 1 210 . 1 1 58 58 ARG C C 13 179.335 0.40 . 1 . . . . 241 ARG C . 18371 1 211 . 1 1 58 58 ARG CA C 13 59.041 0.40 . 1 . . . . 241 ARG CA . 18371 1 212 . 1 1 58 58 ARG CB C 13 30.385 0.40 . 1 . . . . 241 ARG CB . 18371 1 213 . 1 1 58 58 ARG N N 15 119.699 0.40 . 1 . . . . 241 ARG N . 18371 1 214 . 1 1 61 61 ASP H H 1 7.817 0.04 . 1 . . . . 244 ASP H . 18371 1 215 . 1 1 61 61 ASP C C 13 178.227 0.40 . 1 . . . . 244 ASP C . 18371 1 216 . 1 1 61 61 ASP CA C 13 56.575 0.40 . 1 . . . . 244 ASP CA . 18371 1 217 . 1 1 61 61 ASP CB C 13 37.863 0.40 . 1 . . . . 244 ASP CB . 18371 1 218 . 1 1 61 61 ASP N N 15 119.189 0.40 . 1 . . . . 244 ASP N . 18371 1 219 . 1 1 62 62 ILE H H 1 8.085 0.04 . 1 . . . . 245 ILE H . 18371 1 220 . 1 1 62 62 ILE CA C 13 57.122 0.40 . 1 . . . . 245 ILE CA . 18371 1 221 . 1 1 62 62 ILE CB C 13 38.007 0.40 . 1 . . . . 245 ILE CB . 18371 1 222 . 1 1 62 62 ILE N N 15 121.753 0.40 . 1 . . . . 245 ILE N . 18371 1 223 . 1 1 64 64 TYR H H 1 7.761 0.04 . 1 . . . . 247 TYR H . 18371 1 224 . 1 1 64 64 TYR C C 13 175.925 0.40 . 1 . . . . 247 TYR C . 18371 1 225 . 1 1 64 64 TYR CA C 13 56.943 0.40 . 1 . . . . 247 TYR CA . 18371 1 226 . 1 1 64 64 TYR CB C 13 37.476 0.40 . 1 . . . . 247 TYR CB . 18371 1 227 . 1 1 64 64 TYR N N 15 116.445 0.40 . 1 . . . . 247 TYR N . 18371 1 228 . 1 1 65 65 ALA H H 1 7.304 0.04 . 1 . . . . 248 ALA H . 18371 1 229 . 1 1 65 65 ALA C C 13 178.805 0.40 . 1 . . . . 248 ALA C . 18371 1 230 . 1 1 65 65 ALA CA C 13 53.405 0.40 . 1 . . . . 248 ALA CA . 18371 1 231 . 1 1 65 65 ALA CB C 13 18.924 0.40 . 1 . . . . 248 ALA CB . 18371 1 232 . 1 1 65 65 ALA N N 15 125.876 0.40 . 1 . . . . 248 ALA N . 18371 1 233 . 1 1 66 66 THR H H 1 8.566 0.04 . 1 . . . . 249 THR H . 18371 1 234 . 1 1 66 66 THR C C 13 174.276 0.40 . 1 . . . . 249 THR C . 18371 1 235 . 1 1 66 66 THR CA C 13 61.182 0.40 . 1 . . . . 249 THR CA . 18371 1 236 . 1 1 66 66 THR CB C 13 70.446 0.40 . 1 . . . . 249 THR CB . 18371 1 237 . 1 1 66 66 THR N N 15 115.815 0.40 . 1 . . . . 249 THR N . 18371 1 238 . 1 1 67 67 ASP H H 1 8.322 0.04 . 1 . . . . 250 ASP H . 18371 1 239 . 1 1 67 67 ASP C C 13 176.234 0.40 . 1 . . . . 250 ASP C . 18371 1 240 . 1 1 67 67 ASP CA C 13 54.240 0.40 . 1 . . . . 250 ASP CA . 18371 1 241 . 1 1 67 67 ASP CB C 13 41.213 0.40 . 1 . . . . 250 ASP CB . 18371 1 242 . 1 1 67 67 ASP N N 15 123.263 0.40 . 1 . . . . 250 ASP N . 18371 1 243 . 1 1 68 68 GLU H H 1 8.410 0.04 . 1 . . . . 251 GLU H . 18371 1 244 . 1 1 68 68 GLU C C 13 176.854 0.40 . 1 . . . . 251 GLU C . 18371 1 245 . 1 1 68 68 GLU CA C 13 57.102 0.40 . 1 . . . . 251 GLU CA . 18371 1 246 . 1 1 68 68 GLU CB C 13 29.930 0.40 . 1 . . . . 251 GLU CB . 18371 1 247 . 1 1 68 68 GLU N N 15 123.385 0.40 . 1 . . . . 251 GLU N . 18371 1 248 . 1 1 69 69 GLY H H 1 8.351 0.04 . 1 . . . . 252 GLY H . 18371 1 249 . 1 1 69 69 GLY C C 13 173.554 0.40 . 1 . . . . 252 GLY C . 18371 1 250 . 1 1 69 69 GLY CA C 13 45.225 0.40 . 1 . . . . 252 GLY CA . 18371 1 251 . 1 1 69 69 GLY N N 15 110.970 0.40 . 1 . . . . 252 GLY N . 18371 1 252 . 1 1 70 70 PHE H H 1 7.848 0.04 . 1 . . . . 253 PHE H . 18371 1 253 . 1 1 70 70 PHE C C 13 174.963 0.40 . 1 . . . . 253 PHE C . 18371 1 254 . 1 1 70 70 PHE CA C 13 57.629 0.40 . 1 . . . . 253 PHE CA . 18371 1 255 . 1 1 70 70 PHE CB C 13 39.582 0.40 . 1 . . . . 253 PHE CB . 18371 1 256 . 1 1 70 70 PHE N N 15 121.784 0.40 . 1 . . . . 253 PHE N . 18371 1 257 . 1 1 71 71 VAL H H 1 7.897 0.04 . 1 . . . . 254 VAL H . 18371 1 258 . 1 1 71 71 VAL CA C 13 61.774 0.40 . 1 . . . . 254 VAL CA . 18371 1 259 . 1 1 71 71 VAL CB C 13 32.943 0.40 . 1 . . . . 254 VAL CB . 18371 1 260 . 1 1 71 71 VAL N N 15 125.270 0.40 . 1 . . . . 254 VAL N . 18371 1 261 . 1 1 72 72 ILE H H 1 8.245 0.04 . 1 . . . . 255 ILE H . 18371 1 262 . 1 1 72 72 ILE C C 13 174.480 0.40 . 1 . . . . 255 ILE C . 18371 1 263 . 1 1 72 72 ILE CA C 13 58.569 0.40 . 1 . . . . 255 ILE CA . 18371 1 264 . 1 1 72 72 ILE CB C 13 38.373 0.40 . 1 . . . . 255 ILE CB . 18371 1 265 . 1 1 72 72 ILE N N 15 129.329 0.40 . 1 . . . . 255 ILE N . 18371 1 266 . 1 1 74 74 ASP H H 1 8.296 0.04 . 1 . . . . 257 ASP H . 18371 1 267 . 1 1 74 74 ASP C C 13 176.356 0.40 . 1 . . . . 257 ASP C . 18371 1 268 . 1 1 74 74 ASP CA C 13 54.405 0.40 . 1 . . . . 257 ASP CA . 18371 1 269 . 1 1 74 74 ASP CB C 13 41.184 0.40 . 1 . . . . 257 ASP CB . 18371 1 270 . 1 1 74 74 ASP N N 15 122.883 0.40 . 1 . . . . 257 ASP N . 18371 1 271 . 1 1 75 75 GLU H H 1 8.370 0.04 . 1 . . . . 258 GLU H . 18371 1 272 . 1 1 75 75 GLU C C 13 176.889 0.40 . 1 . . . . 258 GLU C . 18371 1 273 . 1 1 75 75 GLU CA C 13 56.602 0.40 . 1 . . . . 258 GLU CA . 18371 1 274 . 1 1 75 75 GLU CB C 13 30.152 0.40 . 1 . . . . 258 GLU CB . 18371 1 275 . 1 1 75 75 GLU N N 15 123.730 0.40 . 1 . . . . 258 GLU N . 18371 1 276 . 1 1 76 76 GLY H H 1 8.426 0.04 . 1 . . . . 259 GLY H . 18371 1 277 . 1 1 76 76 GLY C C 13 174.284 0.40 . 1 . . . . 259 GLY C . 18371 1 278 . 1 1 76 76 GLY CA C 13 45.195 0.40 . 1 . . . . 259 GLY CA . 18371 1 279 . 1 1 76 76 GLY N N 15 111.591 0.40 . 1 . . . . 259 GLY N . 18371 1 280 . 1 1 77 77 GLY H H 1 8.076 0.04 . 1 . . . . 260 GLY H . 18371 1 281 . 1 1 77 77 GLY C C 13 171.671 0.40 . 1 . . . . 260 GLY C . 18371 1 282 . 1 1 77 77 GLY CA C 13 44.544 0.40 . 1 . . . . 260 GLY CA . 18371 1 283 . 1 1 77 77 GLY N N 15 110.654 0.40 . 1 . . . . 260 GLY N . 18371 1 284 . 1 1 79 79 GLN H H 1 8.489 0.04 . 1 . . . . 262 GLN H . 18371 1 285 . 1 1 79 79 GLN C C 13 175.734 0.40 . 1 . . . . 262 GLN C . 18371 1 286 . 1 1 79 79 GLN CA C 13 55.529 0.40 . 1 . . . . 262 GLN CA . 18371 1 287 . 1 1 79 79 GLN CB C 13 29.431 0.40 . 1 . . . . 262 GLN CB . 18371 1 288 . 1 1 79 79 GLN N N 15 122.880 0.40 . 1 . . . . 262 GLN N . 18371 1 289 . 1 1 80 80 GLU H H 1 8.353 0.04 . 1 . . . . 263 GLU H . 18371 1 290 . 1 1 80 80 GLU C C 13 175.375 0.40 . 1 . . . . 263 GLU C . 18371 1 291 . 1 1 80 80 GLU CA C 13 56.288 0.40 . 1 . . . . 263 GLU CA . 18371 1 292 . 1 1 80 80 GLU CB C 13 30.209 0.40 . 1 . . . . 263 GLU CB . 18371 1 293 . 1 1 80 80 GLU N N 15 124.654 0.40 . 1 . . . . 263 GLU N . 18371 1 294 . 1 1 81 81 GLU H H 1 7.987 0.04 . 1 . . . . 264 GLU H . 18371 1 295 . 1 1 81 81 GLU C C 13 180.983 0.40 . 1 . . . . 264 GLU C . 18371 1 296 . 1 1 81 81 GLU CA C 13 58.044 0.40 . 1 . . . . 264 GLU CA . 18371 1 297 . 1 1 81 81 GLU CB C 13 30.934 0.40 . 1 . . . . 264 GLU CB . 18371 1 298 . 1 1 81 81 GLU N N 15 129.036 0.40 . 1 . . . . 264 GLU N . 18371 1 299 . 1 1 83 83 GLU H H 1 8.394 0.04 . 1 . . . . 266 GLU H . 18371 1 300 . 1 1 83 83 GLU CA C 13 56.174 0.40 . 1 . . . . 266 GLU CA . 18371 1 301 . 1 1 83 83 GLU CB C 13 30.376 0.40 . 1 . . . . 266 GLU CB . 18371 1 302 . 1 1 83 83 GLU N N 15 124.671 0.40 . 1 . . . . 266 GLU N . 18371 1 303 . 1 1 84 84 GLU H H 1 8.263 0.04 . 1 . . . . 267 GLU H . 18371 1 304 . 1 1 84 84 GLU C C 13 174.885 0.40 . 1 . . . . 267 GLU C . 18371 1 305 . 1 1 84 84 GLU CA C 13 56.455 0.40 . 1 . . . . 267 GLU CA . 18371 1 306 . 1 1 84 84 GLU CB C 13 30.396 0.40 . 1 . . . . 267 GLU CB . 18371 1 307 . 1 1 84 84 GLU N N 15 123.940 0.40 . 1 . . . . 267 GLU N . 18371 1 308 . 1 1 85 85 TYR H H 1 7.681 0.04 . 1 . . . . 268 TYR H . 18371 1 309 . 1 1 85 85 TYR CA C 13 59.049 0.40 . 1 . . . . 268 TYR CA . 18371 1 310 . 1 1 85 85 TYR CB C 13 39.405 0.40 . 1 . . . . 268 TYR CB . 18371 1 311 . 1 1 85 85 TYR N N 15 127.769 0.40 . 1 . . . . 268 TYR N . 18371 1 stop_ save_