################################### # 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 27816 _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' . . . 27816 1 2 '3D HNCACB' . . . 27816 1 3 '3D CBCA(CO)NH' . . . 27816 1 4 '3D HNCO' . . . 27816 1 5 '3D HNCACO' . . . 27816 1 6 '3D 1H-15N NOESY' . . . 27816 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 2 2 ALA H H 1 8.518 0.000 . 1 . . . . . 189 Ala H . 27816 1 2 . 1 1 2 2 ALA N N 15 123.592 0.000 . 1 . . . . . 189 Ala N . 27816 1 3 . 1 1 3 3 MET H H 1 8.375 0.000 . 1 . . . . . 190 Met H . 27816 1 4 . 1 1 3 3 MET N N 15 119.800 0.000 . 1 . . . . . 190 Met N . 27816 1 5 . 1 1 4 4 ALA H H 1 8.303 0.000 . 1 . . . . . 191 Ala H . 27816 1 6 . 1 1 4 4 ALA N N 15 125.972 0.000 . 1 . . . . . 191 Ala N . 27816 1 7 . 1 1 5 5 LYS H H 1 8.259 0.000 . 1 . . . . . 192 Lys H . 27816 1 8 . 1 1 5 5 LYS N N 15 122.120 0.000 . 1 . . . . . 192 Lys N . 27816 1 9 . 1 1 7 7 CYS H H 1 8.381 0.000 . 1 . . . . . 194 Cys H . 27816 1 10 . 1 1 7 7 CYS N N 15 119.517 0.000 . 1 . . . . . 194 Cys N . 27816 1 11 . 1 1 8 8 ASP H H 1 8.198 0.000 . 1 . . . . . 195 Asp H . 27816 1 12 . 1 1 8 8 ASP N N 15 123.685 0.000 . 1 . . . . . 195 Asp N . 27816 1 13 . 1 1 9 9 LEU H H 1 7.692 0.000 . 1 . . . . . 196 Leu H . 27816 1 14 . 1 1 9 9 LEU N N 15 122.649 0.000 . 1 . . . . . 196 Leu N . 27816 1 15 . 1 1 11 11 LEU H H 1 7.863 0.000 . 1 . . . . . 198 Leu H . 27816 1 16 . 1 1 11 11 LEU N N 15 123.775 0.000 . 1 . . . . . 198 Leu N . 27816 1 17 . 1 1 12 12 ARG H H 1 8.839 0.000 . 1 . . . . . 199 Arg H . 27816 1 18 . 1 1 12 12 ARG N N 15 128.469 0.000 . 1 . . . . . 199 Arg N . 27816 1 19 . 1 1 13 13 LEU H H 1 8.890 0.000 . 1 . . . . . 200 Leu H . 27816 1 20 . 1 1 13 13 LEU N N 15 121.300 0.000 . 1 . . . . . 200 Leu N . 27816 1 21 . 1 1 14 14 LEU H H 1 7.949 0.000 . 1 . . . . . 201 Leu H . 27816 1 22 . 1 1 14 14 LEU N N 15 119.989 0.000 . 1 . . . . . 201 Leu N . 27816 1 23 . 1 1 15 15 VAL H H 1 9.060 0.000 . 1 . . . . . 202 Val H . 27816 1 24 . 1 1 15 15 VAL N N 15 119.525 0.000 . 1 . . . . . 202 Val N . 27816 1 25 . 1 1 17 17 THR H H 1 8.609 0.000 . 1 . . . . . 204 Thr H . 27816 1 26 . 1 1 17 17 THR N N 15 122.342 0.000 . 1 . . . . . 204 Thr N . 27816 1 27 . 1 1 18 18 GLN H H 1 9.068 0.000 . 1 . . . . . 205 Gln H . 27816 1 28 . 1 1 18 18 GLN N N 15 118.727 0.000 . 1 . . . . . 205 Gln N . 27816 1 29 . 1 1 19 19 PHE H H 1 7.606 0.000 . 1 . . . . . 206 Phe H . 27816 1 30 . 1 1 19 19 PHE N N 15 115.401 0.000 . 1 . . . . . 206 Phe N . 27816 1 31 . 1 1 20 20 VAL H H 1 7.537 0.000 . 1 . . . . . 207 Val H . 27816 1 32 . 1 1 20 20 VAL N N 15 120.291 0.000 . 1 . . . . . 207 Val N . 27816 1 33 . 1 1 21 21 GLY H H 1 8.595 0.000 . 1 . . . . . 208 Gly H . 27816 1 34 . 1 1 21 21 GLY N N 15 107.073 0.000 . 1 . . . . . 208 Gly N . 27816 1 35 . 1 1 22 22 ALA H H 1 7.767 0.000 . 1 . . . . . 209 Ala H . 27816 1 36 . 1 1 22 22 ALA N N 15 124.552 0.000 . 1 . . . . . 209 Ala N . 27816 1 37 . 1 1 23 23 ILE H H 1 7.349 0.000 . 1 . . . . . 210 Ile H . 27816 1 38 . 1 1 23 23 ILE N N 15 118.146 0.000 . 1 . . . . . 210 Ile N . 27816 1 39 . 1 1 24 24 ILE H H 1 7.646 0.000 . 1 . . . . . 211 Ile H . 27816 1 40 . 1 1 24 24 ILE N N 15 114.283 0.000 . 1 . . . . . 211 Ile N . 27816 1 41 . 1 1 25 25 GLY H H 1 8.035 0.000 . 1 . . . . . 212 Gly H . 27816 1 42 . 1 1 25 25 GLY N N 15 105.933 0.000 . 1 . . . . . 212 Gly N . 27816 1 43 . 1 1 26 26 LYS H H 1 8.334 0.000 . 1 . . . . . 213 Lys H . 27816 1 44 . 1 1 26 26 LYS N N 15 116.998 0.000 . 1 . . . . . 213 Lys N . 27816 1 45 . 1 1 27 27 GLU H H 1 8.594 0.000 . 1 . . . . . 214 Glu H . 27816 1 46 . 1 1 27 27 GLU N N 15 121.758 0.000 . 1 . . . . . 214 Glu N . 27816 1 47 . 1 1 28 28 GLY H H 1 7.716 0.000 . 1 . . . . . 215 Gly H . 27816 1 48 . 1 1 28 28 GLY N N 15 105.118 0.000 . 1 . . . . . 215 Gly N . 27816 1 49 . 1 1 29 29 ALA H H 1 8.044 0.000 . 1 . . . . . 216 Ala H . 27816 1 50 . 1 1 29 29 ALA N N 15 123.377 0.000 . 1 . . . . . 216 Ala N . 27816 1 51 . 1 1 30 30 THR H H 1 8.089 0.000 . 1 . . . . . 217 Thr H . 27816 1 52 . 1 1 30 30 THR N N 15 113.867 0.000 . 1 . . . . . 217 Thr N . 27816 1 53 . 1 1 31 31 ILE H H 1 8.086 0.000 . 1 . . . . . 218 Ile H . 27816 1 54 . 1 1 31 31 ILE N N 15 123.565 0.000 . 1 . . . . . 218 Ile N . 27816 1 55 . 1 1 32 32 ARG H H 1 8.210 0.000 . 1 . . . . . 219 Arg H . 27816 1 56 . 1 1 32 32 ARG N N 15 124.764 0.000 . 1 . . . . . 219 Arg N . 27816 1 57 . 1 1 33 33 ASN H H 1 7.813 0.000 . 1 . . . . . 220 Asn H . 27816 1 58 . 1 1 33 33 ASN N N 15 115.282 0.000 . 1 . . . . . 220 Asn N . 27816 1 59 . 1 1 34 34 ILE H H 1 8.210 0.000 . 1 . . . . . 221 Ile H . 27816 1 60 . 1 1 34 34 ILE N N 15 121.456 0.000 . 1 . . . . . 221 Ile N . 27816 1 61 . 1 1 35 35 THR H H 1 7.938 0.000 . 1 . . . . . 222 Thr H . 27816 1 62 . 1 1 35 35 THR N N 15 115.934 0.000 . 1 . . . . . 222 Thr N . 27816 1 63 . 1 1 36 36 LYS H H 1 8.150 0.000 . 1 . . . . . 223 Lys H . 27816 1 64 . 1 1 36 36 LYS N N 15 125.555 0.000 . 1 . . . . . 223 Lys N . 27816 1 65 . 1 1 37 37 GLN H H 1 8.348 0.000 . 1 . . . . . 224 Gln H . 27816 1 66 . 1 1 37 37 GLN N N 15 121.603 0.000 . 1 . . . . . 224 Gln N . 27816 1 67 . 1 1 38 38 THR H H 1 8.138 0.000 . 1 . . . . . 225 Thr H . 27816 1 68 . 1 1 38 38 THR N N 15 115.847 0.000 . 1 . . . . . 225 Thr N . 27816 1 69 . 1 1 39 39 GLN H H 1 8.235 0.000 . 1 . . . . . 226 Gln H . 27816 1 70 . 1 1 39 39 GLN N N 15 123.882 0.000 . 1 . . . . . 226 Gln N . 27816 1 71 . 1 1 40 40 SER H H 1 8.242 0.000 . 1 . . . . . 227 Ser H . 27816 1 72 . 1 1 40 40 SER N N 15 116.579 0.000 . 1 . . . . . 227 Ser N . 27816 1 73 . 1 1 41 41 LYS H H 1 8.297 0.000 . 1 . . . . . 228 Lys H . 27816 1 74 . 1 1 41 41 LYS N N 15 123.428 0.000 . 1 . . . . . 228 Lys N . 27816 1 75 . 1 1 42 42 ILE H H 1 8.008 0.000 . 1 . . . . . 229 Ile H . 27816 1 76 . 1 1 42 42 ILE N N 15 121.438 0.000 . 1 . . . . . 229 Ile N . 27816 1 77 . 1 1 43 43 ASP H H 1 8.327 0.000 . 1 . . . . . 230 Asp H . 27816 1 78 . 1 1 43 43 ASP N N 15 125.201 0.000 . 1 . . . . . 230 Asp N . 27816 1 79 . 1 1 44 44 VAL H H 1 7.976 0.000 . 1 . . . . . 231 Val H . 27816 1 80 . 1 1 44 44 VAL N N 15 120.288 0.000 . 1 . . . . . 231 Val N . 27816 1 81 . 1 1 45 45 HIS H H 1 8.351 0.000 . 1 . . . . . 232 His H . 27816 1 82 . 1 1 45 45 HIS N N 15 121.356 0.000 . 1 . . . . . 232 His N . 27816 1 83 . 1 1 46 46 ARG H H 1 8.108 0.000 . 1 . . . . . 233 Arg H . 27816 1 84 . 1 1 46 46 ARG N N 15 122.324 0.000 . 1 . . . . . 233 Arg N . 27816 1 85 . 1 1 47 47 LYS H H 1 8.171 0.000 . 1 . . . . . 234 Lys H . 27816 1 86 . 1 1 47 47 LYS N N 15 122.512 0.000 . 1 . . . . . 234 Lys N . 27816 1 87 . 1 1 48 48 GLU H H 1 8.345 0.000 . 1 . . . . . 235 Glu H . 27816 1 88 . 1 1 48 48 GLU N N 15 121.797 0.000 . 1 . . . . . 235 Glu N . 27816 1 89 . 1 1 49 49 ASN H H 1 8.454 0.000 . 1 . . . . . 236 Asn H . 27816 1 90 . 1 1 49 49 ASN N N 15 118.428 0.000 . 1 . . . . . 236 Asn N . 27816 1 91 . 1 1 50 50 ALA H H 1 8.296 0.000 . 1 . . . . . 237 Ala H . 27816 1 92 . 1 1 50 50 ALA N N 15 124.352 0.000 . 1 . . . . . 237 Ala N . 27816 1 93 . 1 1 51 51 GLY H H 1 8.337 0.000 . 1 . . . . . 238 Gly H . 27816 1 94 . 1 1 51 51 GLY N N 15 108.067 0.000 . 1 . . . . . 238 Gly N . 27816 1 95 . 1 1 52 52 ALA H H 1 7.826 0.000 . 1 . . . . . 239 Ala H . 27816 1 96 . 1 1 52 52 ALA N N 15 122.721 0.000 . 1 . . . . . 239 Ala N . 27816 1 97 . 1 1 53 53 ALA H H 1 8.585 0.000 . 1 . . . . . 240 Ala H . 27816 1 98 . 1 1 53 53 ALA N N 15 123.157 0.000 . 1 . . . . . 240 Ala N . 27816 1 99 . 1 1 54 54 GLU H H 1 7.551 0.000 . 1 . . . . . 241 Glu H . 27816 1 100 . 1 1 54 54 GLU N N 15 117.786 0.000 . 1 . . . . . 241 Glu N . 27816 1 101 . 1 1 55 55 LYS H H 1 8.931 0.000 . 1 . . . . . 242 Lys H . 27816 1 102 . 1 1 55 55 LYS N N 15 118.869 0.000 . 1 . . . . . 242 Lys N . 27816 1 103 . 1 1 56 56 SER H H 1 8.745 0.000 . 1 . . . . . 243 Ser H . 27816 1 104 . 1 1 56 56 SER N N 15 116.742 0.000 . 1 . . . . . 243 Ser N . 27816 1 105 . 1 1 57 57 ILE H H 1 8.867 0.000 . 1 . . . . . 244 Ile H . 27816 1 106 . 1 1 57 57 ILE N N 15 121.865 0.000 . 1 . . . . . 244 Ile N . 27816 1 107 . 1 1 58 58 THR H H 1 8.806 0.000 . 1 . . . . . 245 Thr H . 27816 1 108 . 1 1 58 58 THR N N 15 121.914 0.000 . 1 . . . . . 245 Thr N . 27816 1 109 . 1 1 59 59 ILE H H 1 8.168 0.000 . 1 . . . . . 246 Ile H . 27816 1 110 . 1 1 59 59 ILE N N 15 124.401 0.000 . 1 . . . . . 246 Ile N . 27816 1 111 . 1 1 60 60 LEU H H 1 8.274 0.000 . 1 . . . . . 247 Leu H . 27816 1 112 . 1 1 60 60 LEU N N 15 126.489 0.000 . 1 . . . . . 247 Leu N . 27816 1 113 . 1 1 61 61 SER H H 1 8.216 0.000 . 1 . . . . . 248 Ser H . 27816 1 114 . 1 1 61 61 SER N N 15 116.839 0.000 . 1 . . . . . 248 Ser N . 27816 1 115 . 1 1 62 62 THR H H 1 8.416 0.000 . 1 . . . . . 249 Thr H . 27816 1 116 . 1 1 62 62 THR N N 15 110.067 0.000 . 1 . . . . . 249 Thr N . 27816 1 117 . 1 1 64 64 GLU H H 1 9.010 0.000 . 1 . . . . . 251 Glu H . 27816 1 118 . 1 1 64 64 GLU N N 15 116.178 0.000 . 1 . . . . . 251 Glu N . 27816 1 119 . 1 1 65 65 GLY H H 1 8.190 0.000 . 1 . . . . . 252 Gly H . 27816 1 120 . 1 1 65 65 GLY N N 15 112.171 0.000 . 1 . . . . . 252 Gly N . 27816 1 121 . 1 1 66 66 THR H H 1 8.736 0.000 . 1 . . . . . 253 Thr H . 27816 1 122 . 1 1 66 66 THR N N 15 117.428 0.000 . 1 . . . . . 253 Thr N . 27816 1 123 . 1 1 67 67 SER H H 1 7.987 0.000 . 1 . . . . . 254 Ser H . 27816 1 124 . 1 1 67 67 SER N N 15 117.869 0.000 . 1 . . . . . 254 Ser N . 27816 1 125 . 1 1 68 68 ALA H H 1 7.933 0.000 . 1 . . . . . 255 Ala H . 27816 1 126 . 1 1 68 68 ALA N N 15 124.638 0.000 . 1 . . . . . 255 Ala N . 27816 1 127 . 1 1 69 69 ALA H H 1 8.633 0.000 . 1 . . . . . 256 Ala H . 27816 1 128 . 1 1 69 69 ALA N N 15 122.801 0.000 . 1 . . . . . 256 Ala N . 27816 1 129 . 1 1 70 70 CYS H H 1 8.318 0.000 . 1 . . . . . 257 Cys H . 27816 1 130 . 1 1 70 70 CYS N N 15 117.143 0.000 . 1 . . . . . 257 Cys N . 27816 1 131 . 1 1 71 71 LYS H H 1 8.210 0.000 . 1 . . . . . 258 Lys H . 27816 1 132 . 1 1 71 71 LYS N N 15 118.855 0.000 . 1 . . . . . 258 Lys N . 27816 1 133 . 1 1 72 72 SER H H 1 8.309 0.000 . 1 . . . . . 259 Ser H . 27816 1 134 . 1 1 72 72 SER N N 15 118.082 0.000 . 1 . . . . . 259 Ser N . 27816 1 135 . 1 1 73 73 ILE H H 1 8.052 0.000 . 1 . . . . . 260 Ile H . 27816 1 136 . 1 1 73 73 ILE N N 15 122.304 0.000 . 1 . . . . . 260 Ile N . 27816 1 137 . 1 1 74 74 LEU H H 1 8.531 0.000 . 1 . . . . . 261 Leu H . 27816 1 138 . 1 1 74 74 LEU N N 15 120.611 0.000 . 1 . . . . . 261 Leu N . 27816 1 139 . 1 1 75 75 GLU H H 1 8.546 0.000 . 1 . . . . . 262 Glu H . 27816 1 140 . 1 1 75 75 GLU N N 15 119.508 0.000 . 1 . . . . . 262 Glu N . 27816 1 141 . 1 1 76 76 ILE H H 1 8.003 0.000 . 1 . . . . . 263 Ile H . 27816 1 142 . 1 1 76 76 ILE N N 15 121.021 0.000 . 1 . . . . . 263 Ile N . 27816 1 143 . 1 1 77 77 MET H H 1 8.289 0.000 . 1 . . . . . 264 Met H . 27816 1 144 . 1 1 77 77 MET N N 15 124.616 0.000 . 1 . . . . . 264 Met N . 27816 1 145 . 1 1 78 78 HIS H H 1 8.041 0.000 . 1 . . . . . 265 His H . 27816 1 146 . 1 1 78 78 HIS N N 15 122.265 0.000 . 1 . . . . . 265 His N . 27816 1 147 . 1 1 79 79 LYS H H 1 8.354 0.000 . 1 . . . . . 266 Lys H . 27816 1 148 . 1 1 79 79 LYS N N 15 123.117 0.000 . 1 . . . . . 266 Lys N . 27816 1 149 . 1 1 80 80 GLU H H 1 8.477 0.000 . 1 . . . . . 267 Glu H . 27816 1 150 . 1 1 80 80 GLU N N 15 121.767 0.000 . 1 . . . . . 267 Glu N . 27816 1 151 . 1 1 81 81 ALA H H 1 8.222 0.000 . 1 . . . . . 268 Ala H . 27816 1 152 . 1 1 81 81 ALA N N 15 124.488 0.000 . 1 . . . . . 268 Ala N . 27816 1 153 . 1 1 82 82 GLN H H 1 8.186 0.000 . 1 . . . . . 269 Gln H . 27816 1 154 . 1 1 82 82 GLN N N 15 118.699 0.000 . 1 . . . . . 269 Gln N . 27816 1 155 . 1 1 83 83 ASP H H 1 8.092 0.000 . 1 . . . . . 270 Asp H . 27816 1 156 . 1 1 83 83 ASP N N 15 121.518 0.000 . 1 . . . . . 270 Asp N . 27816 1 157 . 1 1 84 84 ILE H H 1 7.932 0.000 . 1 . . . . . 271 Ile H . 27816 1 158 . 1 1 84 84 ILE N N 15 111.942 0.000 . 1 . . . . . 271 Ile N . 27816 1 159 . 1 1 85 85 LYS H H 1 7.803 0.000 . 1 . . . . . 272 Lys H . 27816 1 160 . 1 1 85 85 LYS N N 15 119.521 0.000 . 1 . . . . . 272 Lys N . 27816 1 161 . 1 1 86 86 PHE H H 1 8.671 0.000 . 1 . . . . . 273 Phe H . 27816 1 162 . 1 1 86 86 PHE N N 15 121.556 0.000 . 1 . . . . . 273 Phe N . 27816 1 163 . 1 1 87 87 THR H H 1 8.154 0.000 . 1 . . . . . 274 Thr H . 27816 1 164 . 1 1 87 87 THR N N 15 117.067 0.000 . 1 . . . . . 274 Thr N . 27816 1 165 . 1 1 88 88 GLU H H 1 6.126 0.000 . 1 . . . . . 275 Glu H . 27816 1 166 . 1 1 88 88 GLU N N 15 120.196 0.000 . 1 . . . . . 275 Glu N . 27816 1 167 . 1 1 89 89 GLU H H 1 8.246 0.000 . 1 . . . . . 276 Glu H . 27816 1 168 . 1 1 89 89 GLU N N 15 119.346 0.000 . 1 . . . . . 276 Glu N . 27816 1 169 . 1 1 90 90 ILE H H 1 8.718 0.000 . 1 . . . . . 277 Ile H . 27816 1 170 . 1 1 90 90 ILE N N 15 122.690 0.000 . 1 . . . . . 277 Ile N . 27816 1 171 . 1 1 92 92 LEU H H 1 8.407 0.000 . 1 . . . . . 279 Leu H . 27816 1 172 . 1 1 92 92 LEU N N 15 122.778 0.000 . 1 . . . . . 279 Leu N . 27816 1 173 . 1 1 93 93 LYS H H 1 8.792 0.000 . 1 . . . . . 280 Lys H . 27816 1 174 . 1 1 93 93 LYS N N 15 128.071 0.000 . 1 . . . . . 280 Lys N . 27816 1 175 . 1 1 94 94 ILE H H 1 9.059 0.000 . 1 . . . . . 281 Ile H . 27816 1 176 . 1 1 94 94 ILE N N 15 123.803 0.000 . 1 . . . . . 281 Ile N . 27816 1 177 . 1 1 95 95 LEU H H 1 8.520 0.000 . 1 . . . . . 282 Leu H . 27816 1 178 . 1 1 95 95 LEU N N 15 127.188 0.000 . 1 . . . . . 282 Leu N . 27816 1 179 . 1 1 96 96 ALA H H 1 8.762 0.000 . 1 . . . . . 283 Ala H . 27816 1 180 . 1 1 96 96 ALA N N 15 124.036 0.000 . 1 . . . . . 283 Ala N . 27816 1 181 . 1 1 97 97 HIS H H 1 8.936 0.000 . 1 . . . . . 284 His H . 27816 1 182 . 1 1 97 97 HIS N N 15 124.382 0.000 . 1 . . . . . 284 His N . 27816 1 183 . 1 1 98 98 ASN H H 1 8.211 0.000 . 1 . . . . . 285 Asn H . 27816 1 184 . 1 1 98 98 ASN N N 15 121.747 0.000 . 1 . . . . . 285 Asn N . 27816 1 185 . 1 1 100 100 PHE H H 1 8.084 0.000 . 1 . . . . . 287 Phe H . 27816 1 186 . 1 1 100 100 PHE N N 15 115.715 0.000 . 1 . . . . . 287 Phe N . 27816 1 187 . 1 1 101 101 VAL H H 1 7.107 0.000 . 1 . . . . . 288 Val H . 27816 1 188 . 1 1 101 101 VAL N N 15 109.401 0.000 . 1 . . . . . 288 Val N . 27816 1 189 . 1 1 102 102 GLY H H 1 8.730 0.000 . 1 . . . . . 289 Gly H . 27816 1 190 . 1 1 102 102 GLY N N 15 111.015 0.000 . 1 . . . . . 289 Gly N . 27816 1 191 . 1 1 103 103 ARG H H 1 7.984 0.000 . 1 . . . . . 290 Arg H . 27816 1 192 . 1 1 103 103 ARG N N 15 118.467 0.000 . 1 . . . . . 290 Arg N . 27816 1 193 . 1 1 104 104 LEU H H 1 8.098 0.000 . 1 . . . . . 291 Leu H . 27816 1 194 . 1 1 104 104 LEU N N 15 121.431 0.000 . 1 . . . . . 291 Leu N . 27816 1 195 . 1 1 105 105 ILE H H 1 7.433 0.000 . 1 . . . . . 292 Ile H . 27816 1 196 . 1 1 105 105 ILE N N 15 108.723 0.000 . 1 . . . . . 292 Ile N . 27816 1 197 . 1 1 106 106 GLY H H 1 7.609 0.000 . 1 . . . . . 293 Gly H . 27816 1 198 . 1 1 106 106 GLY N N 15 108.725 0.000 . 1 . . . . . 293 Gly N . 27816 1 199 . 1 1 107 107 ASP H H 1 8.913 0.000 . 1 . . . . . 294 Asp H . 27816 1 200 . 1 1 107 107 ASP N N 15 121.135 0.000 . 1 . . . . . 294 Asp N . 27816 1 201 . 1 1 108 108 ASP H H 1 8.746 0.000 . 1 . . . . . 295 Asp H . 27816 1 202 . 1 1 108 108 ASP N N 15 116.935 0.000 . 1 . . . . . 295 Asp N . 27816 1 203 . 1 1 109 109 GLY H H 1 7.560 0.000 . 1 . . . . . 296 Gly H . 27816 1 204 . 1 1 109 109 GLY N N 15 105.483 0.000 . 1 . . . . . 296 Gly N . 27816 1 205 . 1 1 110 110 ARG H H 1 7.456 0.000 . 1 . . . . . 297 Arg H . 27816 1 206 . 1 1 110 110 ARG N N 15 120.191 0.000 . 1 . . . . . 297 Arg N . 27816 1 207 . 1 1 113 113 LYS H H 1 7.438 0.000 . 1 . . . . . 300 Lys H . 27816 1 208 . 1 1 113 113 LYS N N 15 122.352 0.000 . 1 . . . . . 300 Lys N . 27816 1 209 . 1 1 114 114 LYS H H 1 7.805 0.000 . 1 . . . . . 301 Lys H . 27816 1 210 . 1 1 114 114 LYS N N 15 117.751 0.000 . 1 . . . . . 301 Lys N . 27816 1 211 . 1 1 115 115 ILE H H 1 7.565 0.000 . 1 . . . . . 302 Ile H . 27816 1 212 . 1 1 115 115 ILE N N 15 118.877 0.000 . 1 . . . . . 302 Ile N . 27816 1 213 . 1 1 116 116 GLU H H 1 8.364 0.000 . 1 . . . . . 303 Glu H . 27816 1 214 . 1 1 116 116 GLU N N 15 123.036 0.000 . 1 . . . . . 303 Glu N . 27816 1 215 . 1 1 117 117 GLN H H 1 7.935 0.000 . 1 . . . . . 304 Gln H . 27816 1 216 . 1 1 117 117 GLN N N 15 117.403 0.000 . 1 . . . . . 304 Gln N . 27816 1 217 . 1 1 118 118 ASP H H 1 8.731 0.000 . 1 . . . . . 305 Asp H . 27816 1 218 . 1 1 118 118 ASP N N 15 118.960 0.000 . 1 . . . . . 305 Asp N . 27816 1 219 . 1 1 119 119 THR H H 1 7.792 0.000 . 1 . . . . . 306 Thr H . 27816 1 220 . 1 1 119 119 THR N N 15 105.940 0.000 . 1 . . . . . 306 Thr N . 27816 1 221 . 1 1 120 120 ASP H H 1 7.929 0.000 . 1 . . . . . 307 Asp H . 27816 1 222 . 1 1 120 120 ASP N N 15 120.308 0.000 . 1 . . . . . 307 Asp N . 27816 1 223 . 1 1 121 121 THR H H 1 7.770 0.000 . 1 . . . . . 308 Thr H . 27816 1 224 . 1 1 121 121 THR N N 15 107.491 0.000 . 1 . . . . . 308 Thr N . 27816 1 225 . 1 1 122 122 LYS H H 1 7.716 0.000 . 1 . . . . . 309 Lys H . 27816 1 226 . 1 1 122 122 LYS N N 15 116.482 0.000 . 1 . . . . . 309 Lys N . 27816 1 227 . 1 1 123 123 ILE H H 1 10.286 0.000 . 1 . . . . . 310 Ile H . 27816 1 228 . 1 1 123 123 ILE N N 15 128.195 0.000 . 1 . . . . . 310 Ile N . 27816 1 229 . 1 1 124 124 THR H H 1 8.824 0.000 . 1 . . . . . 311 Thr H . 27816 1 230 . 1 1 124 124 THR N N 15 118.437 0.000 . 1 . . . . . 311 Thr N . 27816 1 231 . 1 1 125 125 ILE H H 1 8.650 0.000 . 1 . . . . . 312 Ile H . 27816 1 232 . 1 1 125 125 ILE N N 15 121.348 0.000 . 1 . . . . . 312 Ile N . 27816 1 233 . 1 1 126 126 SER H H 1 8.528 0.000 . 1 . . . . . 313 Ser H . 27816 1 234 . 1 1 126 126 SER N N 15 125.300 0.000 . 1 . . . . . 313 Ser N . 27816 1 235 . 1 1 128 128 LEU H H 1 8.087 0.000 . 1 . . . . . 315 Leu H . 27816 1 236 . 1 1 128 128 LEU N N 15 120.914 0.000 . 1 . . . . . 315 Leu N . 27816 1 237 . 1 1 129 129 GLN H H 1 8.651 0.000 . 1 . . . . . 316 Gln H . 27816 1 238 . 1 1 129 129 GLN N N 15 118.678 0.000 . 1 . . . . . 316 Gln N . 27816 1 239 . 1 1 130 130 GLU H H 1 7.648 0.000 . 1 . . . . . 317 Glu H . 27816 1 240 . 1 1 130 130 GLU N N 15 117.947 0.000 . 1 . . . . . 317 Glu N . 27816 1 241 . 1 1 131 131 LEU H H 1 7.823 0.000 . 1 . . . . . 318 Leu H . 27816 1 242 . 1 1 131 131 LEU N N 15 121.656 0.000 . 1 . . . . . 318 Leu N . 27816 1 243 . 1 1 132 132 THR H H 1 7.764 0.000 . 1 . . . . . 319 Thr H . 27816 1 244 . 1 1 132 132 THR N N 15 112.698 0.000 . 1 . . . . . 319 Thr N . 27816 1 245 . 1 1 133 133 LEU H H 1 8.324 0.000 . 1 . . . . . 320 Leu H . 27816 1 246 . 1 1 133 133 LEU N N 15 122.569 0.000 . 1 . . . . . 320 Leu N . 27816 1 247 . 1 1 134 134 TYR H H 1 7.899 0.000 . 1 . . . . . 321 Tyr H . 27816 1 248 . 1 1 134 134 TYR N N 15 120.924 0.000 . 1 . . . . . 321 Tyr N . 27816 1 249 . 1 1 135 135 ASN H H 1 8.146 0.000 . 1 . . . . . 322 Asn H . 27816 1 250 . 1 1 135 135 ASN N N 15 125.663 0.000 . 1 . . . . . 322 Asn N . 27816 1 251 . 1 1 137 137 GLU H H 1 8.358 0.000 . 1 . . . . . 324 Glu H . 27816 1 252 . 1 1 137 137 GLU N N 15 125.452 0.000 . 1 . . . . . 324 Glu N . 27816 1 253 . 1 1 138 138 ARG H H 1 8.853 0.000 . 1 . . . . . 325 Arg H . 27816 1 254 . 1 1 138 138 ARG N N 15 122.261 0.000 . 1 . . . . . 325 Arg N . 27816 1 255 . 1 1 139 139 THR H H 1 8.835 0.000 . 1 . . . . . 326 Thr H . 27816 1 256 . 1 1 139 139 THR N N 15 117.164 0.000 . 1 . . . . . 326 Thr N . 27816 1 257 . 1 1 140 140 ILE H H 1 10.118 0.000 . 1 . . . . . 327 Ile H . 27816 1 258 . 1 1 140 140 ILE N N 15 133.736 0.000 . 1 . . . . . 327 Ile N . 27816 1 259 . 1 1 141 141 THR H H 1 9.107 0.000 . 1 . . . . . 328 Thr H . 27816 1 260 . 1 1 141 141 THR N N 15 124.720 0.000 . 1 . . . . . 328 Thr N . 27816 1 261 . 1 1 142 142 VAL H H 1 9.663 0.000 . 1 . . . . . 329 Val H . 27816 1 262 . 1 1 142 142 VAL N N 15 128.340 0.000 . 1 . . . . . 329 Val N . 27816 1 263 . 1 1 143 143 LYS H H 1 9.017 0.000 . 1 . . . . . 330 Lys H . 27816 1 264 . 1 1 143 143 LYS N N 15 126.476 0.000 . 1 . . . . . 330 Lys N . 27816 1 265 . 1 1 144 144 GLY H H 1 8.063 0.000 . 1 . . . . . 331 Gly H . 27816 1 266 . 1 1 144 144 GLY N N 15 112.537 0.000 . 1 . . . . . 331 Gly N . 27816 1 267 . 1 1 145 145 ASN H H 1 7.943 0.000 . 1 . . . . . 332 Asn H . 27816 1 268 . 1 1 145 145 ASN N N 15 121.236 0.000 . 1 . . . . . 332 Asn N . 27816 1 269 . 1 1 146 146 VAL H H 1 8.082 0.000 . 1 . . . . . 333 Val H . 27816 1 270 . 1 1 146 146 VAL N N 15 117.963 0.000 . 1 . . . . . 333 Val N . 27816 1 271 . 1 1 147 147 GLU H H 1 7.688 0.000 . 1 . . . . . 334 Glu H . 27816 1 272 . 1 1 147 147 GLU N N 15 114.627 0.000 . 1 . . . . . 334 Glu N . 27816 1 273 . 1 1 148 148 THR H H 1 8.686 0.000 . 1 . . . . . 335 Thr H . 27816 1 274 . 1 1 148 148 THR N N 15 113.674 0.000 . 1 . . . . . 335 Thr N . 27816 1 275 . 1 1 149 149 CYS H H 1 8.751 0.000 . 1 . . . . . 336 Cys H . 27816 1 276 . 1 1 149 149 CYS N N 15 119.489 0.000 . 1 . . . . . 336 Cys N . 27816 1 277 . 1 1 150 150 ALA H H 1 7.477 0.000 . 1 . . . . . 337 Ala H . 27816 1 278 . 1 1 150 150 ALA N N 15 120.412 0.000 . 1 . . . . . 337 Ala N . 27816 1 279 . 1 1 151 151 LYS H H 1 7.431 0.000 . 1 . . . . . 338 Lys H . 27816 1 280 . 1 1 151 151 LYS N N 15 117.335 0.000 . 1 . . . . . 338 Lys N . 27816 1 281 . 1 1 152 152 ALA H H 1 8.278 0.000 . 1 . . . . . 339 Ala H . 27816 1 282 . 1 1 152 152 ALA N N 15 120.355 0.000 . 1 . . . . . 339 Ala N . 27816 1 283 . 1 1 153 153 GLU H H 1 8.436 0.000 . 1 . . . . . 340 Glu H . 27816 1 284 . 1 1 153 153 GLU N N 15 119.242 0.000 . 1 . . . . . 340 Glu N . 27816 1 285 . 1 1 154 154 GLU H H 1 7.501 0.000 . 1 . . . . . 341 Glu H . 27816 1 286 . 1 1 154 154 GLU N N 15 118.574 0.000 . 1 . . . . . 341 Glu N . 27816 1 287 . 1 1 155 155 GLU H H 1 7.511 0.000 . 1 . . . . . 342 Glu H . 27816 1 288 . 1 1 155 155 GLU N N 15 117.045 0.000 . 1 . . . . . 342 Glu N . 27816 1 289 . 1 1 156 156 ILE H H 1 9.119 0.000 . 1 . . . . . 343 Ile H . 27816 1 290 . 1 1 156 156 ILE N N 15 121.574 0.000 . 1 . . . . . 343 Ile N . 27816 1 291 . 1 1 157 157 MET H H 1 8.725 0.000 . 1 . . . . . 344 Met H . 27816 1 292 . 1 1 157 157 MET N N 15 115.731 0.000 . 1 . . . . . 344 Met N . 27816 1 293 . 1 1 158 158 LYS H H 1 7.641 0.000 . 1 . . . . . 345 Lys H . 27816 1 294 . 1 1 158 158 LYS N N 15 120.089 0.000 . 1 . . . . . 345 Lys N . 27816 1 295 . 1 1 159 159 LYS H H 1 7.199 0.000 . 1 . . . . . 346 Lys H . 27816 1 296 . 1 1 159 159 LYS N N 15 116.787 0.000 . 1 . . . . . 346 Lys N . 27816 1 297 . 1 1 160 160 ILE H H 1 8.203 0.000 . 1 . . . . . 347 Ile H . 27816 1 298 . 1 1 160 160 ILE N N 15 123.657 0.000 . 1 . . . . . 347 Ile N . 27816 1 299 . 1 1 161 161 ARG H H 1 8.735 0.000 . 1 . . . . . 348 Arg H . 27816 1 300 . 1 1 161 161 ARG N N 15 119.197 0.000 . 1 . . . . . 348 Arg N . 27816 1 301 . 1 1 162 162 GLU H H 1 7.942 0.000 . 1 . . . . . 349 Glu H . 27816 1 302 . 1 1 162 162 GLU N N 15 118.111 0.000 . 1 . . . . . 349 Glu N . 27816 1 303 . 1 1 163 163 SER H H 1 7.512 0.000 . 1 . . . . . 350 Ser H . 27816 1 304 . 1 1 163 163 SER N N 15 113.985 0.000 . 1 . . . . . 350 Ser N . 27816 1 305 . 1 1 165 165 GLU H H 1 8.201 0.000 . 1 . . . . . 352 Glu H . 27816 1 306 . 1 1 165 165 GLU N N 15 115.197 0.000 . 1 . . . . . 352 Glu N . 27816 1 307 . 1 1 166 166 ASN H H 1 7.605 0.000 . 1 . . . . . 353 Asn H . 27816 1 308 . 1 1 166 166 ASN N N 15 114.445 0.000 . 1 . . . . . 353 Asn N . 27816 1 309 . 1 1 167 167 ASP H H 1 8.561 0.000 . 1 . . . . . 354 Asp H . 27816 1 310 . 1 1 167 167 ASP N N 15 120.949 0.000 . 1 . . . . . 354 Asp N . 27816 1 311 . 1 1 168 168 ILE H H 1 7.402 0.000 . 1 . . . . . 355 Ile H . 27816 1 312 . 1 1 168 168 ILE N N 15 124.144 0.000 . 1 . . . . . 355 Ile N . 27816 1 stop_ save_