################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52246 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name a7ICD_shifts_no_PICK1 _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 $chem_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 TROSY' . . . 52246 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 1 $software_1 . . 52246 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 96 96 HIS H H 1 8.421 0.000 . . . . . . . 298 HIS H . 52246 1 2 . 1 . 1 96 96 HIS N N 15 120.787 0.000 . . . . . . . 298 HIS N . 52246 1 3 . 1 . 1 97 97 ASP H H 1 8.260 0.000 . . . . . . . 299 ASP H . 52246 1 4 . 1 . 1 97 97 ASP N N 15 122.999 0.000 . . . . . . . 299 ASP N . 52246 1 5 . 1 . 1 99 99 ASP H H 1 8.210 0.000 . . . . . . . 301 ASP H . 52246 1 6 . 1 . 1 99 99 ASP N N 15 118.371 0.000 . . . . . . . 301 ASP N . 52246 1 7 . 1 . 1 100 100 GLY H H 1 8.108 0.000 . . . . . . . 302 GLY H . 52246 1 8 . 1 . 1 100 100 GLY N N 15 108.770 0.000 . . . . . . . 302 GLY N . 52246 1 9 . 1 . 1 101 101 GLY H H 1 8.307 0.000 . . . . . . . 303 GLY H . 52246 1 10 . 1 . 1 101 101 GLY N N 15 108.305 0.000 . . . . . . . 303 GLY N . 52246 1 11 . 1 . 1 102 102 LYS H H 1 7.892 0.000 . . . . . . . 304 LYS H . 52246 1 12 . 1 . 1 102 102 LYS N N 15 119.786 0.000 . . . . . . . 304 LYS N . 52246 1 13 . 1 . 1 103 103 MET H H 1 8.282 0.000 . . . . . . . 305 MET H . 52246 1 14 . 1 . 1 103 103 MET N N 15 123.399 0.000 . . . . . . . 305 MET N . 52246 1 15 . 1 . 1 105 105 LYS H H 1 8.485 0.000 . . . . . . . 307 LYS H . 52246 1 16 . 1 . 1 105 105 LYS N N 15 121.128 0.000 . . . . . . . 307 LYS N . 52246 1 17 . 1 . 1 106 106 TRP H H 1 7.710 0.000 . . . . . . . 308 TRP H . 52246 1 18 . 1 . 1 106 106 TRP HE1 H 1 10.743 0.000 . . . . . . . 308 TRP HE1 . 52246 1 19 . 1 . 1 106 106 TRP N N 15 118.155 0.000 . . . . . . . 308 TRP N . 52246 1 20 . 1 . 1 106 106 TRP NE1 N 15 131.877 0.000 . . . . . . . 308 TRP NE1 . 52246 1 21 . 1 . 1 107 107 THR H H 1 6.905 0.000 . . . . . . . 309 THR H . 52246 1 22 . 1 . 1 107 107 THR N N 15 113.159 0.000 . . . . . . . 309 THR N . 52246 1 23 . 1 . 1 108 108 ARG H H 1 7.512 0.000 . . . . . . . 310 ARG H . 52246 1 24 . 1 . 1 108 108 ARG N N 15 120.985 0.000 . . . . . . . 310 ARG N . 52246 1 25 . 1 . 1 109 109 VAL H H 1 7.707 0.000 . . . . . . . 311 VAL H . 52246 1 26 . 1 . 1 109 109 VAL N N 15 116.608 0.000 . . . . . . . 311 VAL N . 52246 1 27 . 1 . 1 110 110 ILE H H 1 7.393 0.000 . . . . . . . 312 ILE H . 52246 1 28 . 1 . 1 110 110 ILE N N 15 119.101 0.000 . . . . . . . 312 ILE N . 52246 1 29 . 1 . 1 111 111 LEU H H 1 7.695 0.000 . . . . . . . 313 LEU H . 52246 1 30 . 1 . 1 111 111 LEU N N 15 118.605 0.000 . . . . . . . 313 LEU N . 52246 1 31 . 1 . 1 112 112 LEU H H 1 7.566 0.000 . . . . . . . 314 LEU H . 52246 1 32 . 1 . 1 112 112 LEU N N 15 118.603 0.000 . . . . . . . 314 LEU N . 52246 1 33 . 1 . 1 113 113 ASN H H 1 7.978 0.000 . . . . . . . 315 ASN H . 52246 1 34 . 1 . 1 113 113 ASN N N 15 117.932 0.000 . . . . . . . 315 ASN N . 52246 1 35 . 1 . 1 114 114 TRP HE1 H 1 10.200 0.000 . . . . . . . 316 TRP HE1 . 52246 1 36 . 1 . 1 114 114 TRP NE1 N 15 128.767 0.000 . . . . . . . 316 TRP NE1 . 52246 1 37 . 1 . 1 115 115 CYS H H 1 8.243 0.000 . . . . . . . 317 CYS H . 52246 1 38 . 1 . 1 115 115 CYS N N 15 116.006 0.000 . . . . . . . 317 CYS N . 52246 1 39 . 1 . 1 116 116 ALA H H 1 7.896 0.000 . . . . . . . 318 ALA H . 52246 1 40 . 1 . 1 116 116 ALA N N 15 121.175 0.000 . . . . . . . 318 ALA N . 52246 1 41 . 1 . 1 117 117 TRP H H 1 7.835 0.000 . . . . . . . 319 TRP H . 52246 1 42 . 1 . 1 117 117 TRP HE1 H 1 10.256 0.000 . . . . . . . 319 TRP HE1 . 52246 1 43 . 1 . 1 117 117 TRP N N 15 117.542 0.000 . . . . . . . 319 TRP N . 52246 1 44 . 1 . 1 117 117 TRP NE1 N 15 130.230 0.000 . . . . . . . 319 TRP NE1 . 52246 1 45 . 1 . 1 118 118 PHE H H 1 7.846 0.000 . . . . . . . 320 PHE H . 52246 1 46 . 1 . 1 118 118 PHE N N 15 115.864 0.000 . . . . . . . 320 PHE N . 52246 1 47 . 1 . 1 119 119 LEU H H 1 7.659 0.000 . . . . . . . 321 LEU H . 52246 1 48 . 1 . 1 119 119 LEU N N 15 116.724 0.000 . . . . . . . 321 LEU N . 52246 1 49 . 1 . 1 120 120 ARG H H 1 7.566 0.000 . . . . . . . 322 ARG H . 52246 1 50 . 1 . 1 120 120 ARG N N 15 118.603 0.000 . . . . . . . 322 ARG N . 52246 1 51 . 1 . 1 121 121 MET H H 1 7.806 0.000 . . . . . . . 323 MET H . 52246 1 52 . 1 . 1 121 121 MET N N 15 120.498 0.000 . . . . . . . 323 MET N . 52246 1 53 . 1 . 1 122 122 LYS H H 1 8.049 0.000 . . . . . . . 324 LYS H . 52246 1 54 . 1 . 1 122 122 LYS N N 15 122.144 0.000 . . . . . . . 324 LYS N . 52246 1 55 . 1 . 1 123 123 ARG H H 1 8.371 0.000 . . . . . . . 325 ARG H . 52246 1 56 . 1 . 1 123 123 ARG N N 15 123.876 0.000 . . . . . . . 325 ARG N . 52246 1 57 . 1 . 1 125 125 GLY H H 1 8.419 0.000 . . . . . . . 327 GLY H . 52246 1 58 . 1 . 1 125 125 GLY N N 15 109.563 0.000 . . . . . . . 327 GLY N . 52246 1 59 . 1 . 1 126 126 GLU H H 1 8.026 0.000 . . . . . . . 328 GLU H . 52246 1 60 . 1 . 1 126 126 GLU N N 15 120.282 0.000 . . . . . . . 328 GLU N . 52246 1 61 . 1 . 1 127 127 ASP H H 1 8.345 0.000 . . . . . . . 329 ASP H . 52246 1 62 . 1 . 1 127 127 ASP N N 15 120.575 0.000 . . . . . . . 329 ASP N . 52246 1 63 . 1 . 1 128 128 LYS H H 1 8.021 0.000 . . . . . . . 330 LYS H . 52246 1 64 . 1 . 1 128 128 LYS N N 15 120.918 0.000 . . . . . . . 330 LYS N . 52246 1 65 . 1 . 1 129 129 VAL H H 1 7.929 0.000 . . . . . . . 331 VAL H . 52246 1 66 . 1 . 1 129 129 VAL N N 15 120.870 0.000 . . . . . . . 331 VAL N . 52246 1 67 . 1 . 1 130 130 ARG H H 1 8.273 0.000 . . . . . . . 332 ARG H . 52246 1 68 . 1 . 1 130 130 ARG N N 15 126.101 0.000 . . . . . . . 332 ARG N . 52246 1 69 . 1 . 1 132 132 ALA H H 1 8.309 0.000 . . . . . . . 334 ALA H . 52246 1 70 . 1 . 1 132 132 ALA N N 15 124.234 0.000 . . . . . . . 334 ALA N . 52246 1 71 . 1 . 1 133 133 CYS H H 1 8.116 0.000 . . . . . . . 335 CYS H . 52246 1 72 . 1 . 1 133 133 CYS N N 15 114.356 0.000 . . . . . . . 335 CYS N . 52246 1 73 . 1 . 1 134 134 GLN H H 1 8.187 0.000 . . . . . . . 336 GLN H . 52246 1 74 . 1 . 1 134 134 GLN N N 15 121.667 0.000 . . . . . . . 336 GLN N . 52246 1 75 . 1 . 1 135 135 HIS H H 1 8.336 0.000 . . . . . . . 337 HIS H . 52246 1 76 . 1 . 1 135 135 HIS N N 15 119.625 0.000 . . . . . . . 337 HIS N . 52246 1 77 . 1 . 1 136 136 LYS H H 1 8.224 0.000 . . . . . . . 338 LYS H . 52246 1 78 . 1 . 1 136 136 LYS N N 15 122.613 0.000 . . . . . . . 338 LYS N . 52246 1 79 . 1 . 1 137 137 GLN H H 1 8.321 0.000 . . . . . . . 339 GLN H . 52246 1 80 . 1 . 1 137 137 GLN N N 15 121.696 0.000 . . . . . . . 339 GLN N . 52246 1 81 . 1 . 1 138 138 ARG H H 1 8.330 0.000 . . . . . . . 340 ARG H . 52246 1 82 . 1 . 1 138 138 ARG N N 15 122.998 0.000 . . . . . . . 340 ARG N . 52246 1 83 . 1 . 1 139 139 ARG H H 1 8.329 0.000 . . . . . . . 341 ARG H . 52246 1 84 . 1 . 1 139 139 ARG N N 15 122.750 0.000 . . . . . . . 341 ARG N . 52246 1 85 . 1 . 1 140 140 CYS H H 1 8.280 0.000 . . . . . . . 342 CYS H . 52246 1 86 . 1 . 1 140 140 CYS N N 15 117.146 0.000 . . . . . . . 342 CYS N . 52246 1 87 . 1 . 1 141 141 SER H H 1 8.279 0.000 . . . . . . . 343 SER H . 52246 1 88 . 1 . 1 141 141 SER N N 15 117.907 0.000 . . . . . . . 343 SER N . 52246 1 89 . 1 . 1 142 142 LEU H H 1 8.120 0.000 . . . . . . . 344 LEU H . 52246 1 90 . 1 . 1 142 142 LEU N N 15 123.613 0.000 . . . . . . . 344 LEU N . 52246 1 91 . 1 . 1 143 143 ALA H H 1 8.072 0.000 . . . . . . . 345 ALA H . 52246 1 92 . 1 . 1 143 143 ALA N N 15 123.910 0.000 . . . . . . . 345 ALA N . 52246 1 93 . 1 . 1 144 144 SER H H 1 8.028 0.000 . . . . . . . 346 SER H . 52246 1 94 . 1 . 1 144 144 SER N N 15 114.479 0.000 . . . . . . . 346 SER N . 52246 1 95 . 1 . 1 145 145 VAL H H 1 7.929 0.000 . . . . . . . 347 VAL H . 52246 1 96 . 1 . 1 145 145 VAL N N 15 120.870 0.000 . . . . . . . 347 VAL N . 52246 1 97 . 1 . 1 146 146 GLU H H 1 8.282 0.000 . . . . . . . 348 GLU H . 52246 1 98 . 1 . 1 146 146 GLU N N 15 123.399 0.000 . . . . . . . 348 GLU N . 52246 1 99 . 1 . 1 147 147 MET H H 1 8.217 0.000 . . . . . . . 349 MET H . 52246 1 100 . 1 . 1 147 147 MET N N 15 120.919 0.000 . . . . . . . 349 MET N . 52246 1 101 . 1 . 1 148 148 SER H H 1 8.117 0.000 . . . . . . . 350 SER H . 52246 1 102 . 1 . 1 148 148 SER N N 15 115.958 0.000 . . . . . . . 350 SER N . 52246 1 103 . 1 . 1 149 149 ALA H H 1 8.110 0.000 . . . . . . . 351 ALA H . 52246 1 104 . 1 . 1 149 149 ALA N N 15 125.387 0.000 . . . . . . . 351 ALA N . 52246 1 105 . 1 . 1 150 150 VAL H H 1 7.779 0.000 . . . . . . . 352 VAL H . 52246 1 106 . 1 . 1 150 150 VAL N N 15 117.534 0.000 . . . . . . . 352 VAL N . 52246 1 107 . 1 . 1 151 151 ALA H H 1 8.049 0.000 . . . . . . . 353 ALA H . 52246 1 108 . 1 . 1 151 151 ALA N N 15 128.216 0.000 . . . . . . . 353 ALA N . 52246 1 109 . 1 . 1 155 155 ALA H H 1 8.222 0.000 . . . . . . . 357 ALA H . 52246 1 110 . 1 . 1 155 155 ALA N N 15 123.473 0.000 . . . . . . . 357 ALA N . 52246 1 111 . 1 . 1 156 156 SER H H 1 8.116 0.000 . . . . . . . 358 SER H . 52246 1 112 . 1 . 1 156 156 SER N N 15 114.356 0.000 . . . . . . . 358 SER N . 52246 1 113 . 1 . 1 157 157 ASN H H 1 8.274 0.000 . . . . . . . 359 ASN H . 52246 1 114 . 1 . 1 157 157 ASN N N 15 120.293 0.000 . . . . . . . 359 ASN N . 52246 1 115 . 1 . 1 158 158 GLY H H 1 8.293 0.000 . . . . . . . 360 GLY H . 52246 1 116 . 1 . 1 158 158 GLY N N 15 108.493 0.000 . . . . . . . 360 GLY N . 52246 1 117 . 1 . 1 159 159 ASN H H 1 8.110 0.000 . . . . . . . 361 ASN H . 52246 1 118 . 1 . 1 159 159 ASN N N 15 118.407 0.000 . . . . . . . 361 ASN N . 52246 1 119 . 1 . 1 160 160 LEU H H 1 8.110 0.000 . . . . . . . 362 LEU H . 52246 1 120 . 1 . 1 160 160 LEU N N 15 121.862 0.000 . . . . . . . 362 LEU N . 52246 1 121 . 1 . 1 161 161 LEU H H 1 7.911 0.000 . . . . . . . 363 LEU H . 52246 1 122 . 1 . 1 161 161 LEU N N 15 118.799 0.000 . . . . . . . 363 LEU N . 52246 1 123 . 1 . 1 162 162 TYR H H 1 7.650 0.000 . . . . . . . 364 TYR H . 52246 1 124 . 1 . 1 162 162 TYR N N 15 117.313 0.000 . . . . . . . 364 TYR N . 52246 1 125 . 1 . 1 163 163 ILE H H 1 7.725 0.000 . . . . . . . 365 ILE H . 52246 1 126 . 1 . 1 163 163 ILE N N 15 119.280 0.000 . . . . . . . 365 ILE N . 52246 1 127 . 1 . 1 164 164 GLY H H 1 7.851 0.000 . . . . . . . 366 GLY H . 52246 1 128 . 1 . 1 164 164 GLY N N 15 108.942 0.000 . . . . . . . 366 GLY N . 52246 1 129 . 1 . 1 165 165 PHE H H 1 7.911 0.000 . . . . . . . 367 PHE H . 52246 1 130 . 1 . 1 165 165 PHE N N 15 118.799 0.000 . . . . . . . 367 PHE N . 52246 1 131 . 1 . 1 166 166 ARG H H 1 8.187 0.000 . . . . . . . 368 ARG H . 52246 1 132 . 1 . 1 166 166 ARG N N 15 121.667 0.000 . . . . . . . 368 ARG N . 52246 1 133 . 1 . 1 167 167 GLY H H 1 8.027 0.000 . . . . . . . 369 GLY H . 52246 1 134 . 1 . 1 167 167 GLY N N 15 108.416 0.000 . . . . . . . 369 GLY N . 52246 1 135 . 1 . 1 168 168 LEU H H 1 7.978 0.000 . . . . . . . 370 LEU H . 52246 1 136 . 1 . 1 168 168 LEU N N 15 120.553 0.000 . . . . . . . 370 LEU N . 52246 1 137 . 1 . 1 169 169 ASP H H 1 8.102 0.000 . . . . . . . 371 ASP H . 52246 1 138 . 1 . 1 169 169 ASP N N 15 118.646 0.000 . . . . . . . 371 ASP N . 52246 1 139 . 1 . 1 170 170 GLY H H 1 8.099 0.000 . . . . . . . 372 GLY H . 52246 1 140 . 1 . 1 170 170 GLY N N 15 107.976 0.000 . . . . . . . 372 GLY N . 52246 1 141 . 1 . 1 171 171 VAL H H 1 7.807 0.000 . . . . . . . 373 VAL H . 52246 1 142 . 1 . 1 171 171 VAL N N 15 118.824 0.000 . . . . . . . 373 VAL N . 52246 1 143 . 1 . 1 172 172 HIS H H 1 8.452 0.000 . . . . . . . 374 HIS H . 52246 1 144 . 1 . 1 172 172 HIS N N 15 121.433 0.000 . . . . . . . 374 HIS N . 52246 1 145 . 1 . 1 173 173 CYS H H 1 8.146 0.000 . . . . . . . 375 CYS H . 52246 1 146 . 1 . 1 173 173 CYS N N 15 116.889 0.000 . . . . . . . 375 CYS N . 52246 1 147 . 1 . 1 174 174 VAL H H 1 8.004 0.000 . . . . . . . 376 VAL H . 52246 1 148 . 1 . 1 174 174 VAL N N 15 121.750 0.000 . . . . . . . 376 VAL N . 52246 1 149 . 1 . 1 176 176 THR H H 1 8.074 0.000 . . . . . . . 378 THR H . 52246 1 150 . 1 . 1 176 176 THR N N 15 115.807 0.000 . . . . . . . 378 THR N . 52246 1 151 . 1 . 1 178 178 ASP H H 1 8.254 0.000 . . . . . . . 380 ASP H . 52246 1 152 . 1 . 1 178 178 ASP N N 15 119.785 0.000 . . . . . . . 380 ASP N . 52246 1 153 . 1 . 1 179 179 SER H H 1 8.117 0.000 . . . . . . . 381 SER H . 52246 1 154 . 1 . 1 179 179 SER N N 15 115.958 0.000 . . . . . . . 381 SER N . 52246 1 155 . 1 . 1 180 180 GLY H H 1 8.367 0.000 . . . . . . . 382 GLY H . 52246 1 156 . 1 . 1 180 180 GLY N N 15 110.500 0.000 . . . . . . . 382 GLY N . 52246 1 157 . 1 . 1 181 181 VAL H H 1 7.788 0.000 . . . . . . . 383 VAL H . 52246 1 158 . 1 . 1 181 181 VAL N N 15 119.202 0.000 . . . . . . . 383 VAL N . 52246 1 159 . 1 . 1 182 182 VAL H H 1 8.037 0.000 . . . . . . . 384 VAL H . 52246 1 160 . 1 . 1 182 182 VAL N N 15 122.610 0.000 . . . . . . . 384 VAL N . 52246 1 161 . 1 . 1 183 183 CYS H H 1 8.185 0.000 . . . . . . . 385 CYS H . 52246 1 162 . 1 . 1 183 183 CYS N N 15 118.753 0.000 . . . . . . . 385 CYS N . 52246 1 163 . 1 . 1 184 184 GLY H H 1 8.268 0.000 . . . . . . . 386 GLY H . 52246 1 164 . 1 . 1 184 184 GLY N N 15 110.512 0.000 . . . . . . . 386 GLY N . 52246 1 165 . 1 . 1 185 185 ARG H H 1 8.026 0.000 . . . . . . . 387 ARG H . 52246 1 166 . 1 . 1 185 185 ARG N N 15 120.282 0.000 . . . . . . . 387 ARG N . 52246 1 167 . 1 . 1 186 186 MET H H 1 8.251 0.000 . . . . . . . 388 MET H . 52246 1 168 . 1 . 1 186 186 MET N N 15 121.196 0.000 . . . . . . . 388 MET N . 52246 1 169 . 1 . 1 187 187 ALA H H 1 8.171 0.000 . . . . . . . 389 ALA H . 52246 1 170 . 1 . 1 187 187 ALA N N 15 125.087 0.000 . . . . . . . 389 ALA N . 52246 1 171 . 1 . 1 188 188 CYS H H 1 8.086 0.000 . . . . . . . 390 CYS H . 52246 1 172 . 1 . 1 188 188 CYS N N 15 114.607 0.000 . . . . . . . 390 CYS N . 52246 1 173 . 1 . 1 189 189 SER H H 1 8.143 0.000 . . . . . . . 391 SER H . 52246 1 174 . 1 . 1 189 189 SER N N 15 118.317 0.000 . . . . . . . 391 SER N . 52246 1 175 . 1 . 1 191 191 THR H H 1 7.995 0.000 . . . . . . . 393 THR H . 52246 1 176 . 1 . 1 191 191 THR N N 15 113.009 0.000 . . . . . . . 393 THR N . 52246 1 177 . 1 . 1 192 192 HIS H H 1 8.301 0.000 . . . . . . . 394 HIS H . 52246 1 178 . 1 . 1 192 192 HIS N N 15 120.188 0.000 . . . . . . . 394 HIS N . 52246 1 179 . 1 . 1 193 193 ASP H H 1 8.225 0.000 . . . . . . . 395 ASP H . 52246 1 180 . 1 . 1 193 193 ASP N N 15 121.547 0.000 . . . . . . . 395 ASP N . 52246 1 181 . 1 . 1 194 194 GLU H H 1 8.499 0.000 . . . . . . . 396 GLU H . 52246 1 182 . 1 . 1 194 194 GLU N N 15 122.432 0.000 . . . . . . . 396 GLU N . 52246 1 183 . 1 . 1 195 195 HIS H H 1 8.482 0.000 . . . . . . . 397 HIS H . 52246 1 184 . 1 . 1 195 195 HIS N N 15 118.398 0.000 . . . . . . . 397 HIS N . 52246 1 185 . 1 . 1 196 196 LEU H H 1 7.939 0.000 . . . . . . . 398 LEU H . 52246 1 186 . 1 . 1 196 196 LEU N N 15 121.409 0.000 . . . . . . . 398 LEU N . 52246 1 187 . 1 . 1 197 197 LEU H H 1 7.963 0.000 . . . . . . . 399 LEU H . 52246 1 188 . 1 . 1 197 197 LEU N N 15 121.145 0.000 . . . . . . . 399 LEU N . 52246 1 189 . 1 . 1 198 198 HIS H H 1 8.232 0.000 . . . . . . . 400 HIS H . 52246 1 190 . 1 . 1 198 198 HIS N N 15 118.086 0.000 . . . . . . . 400 HIS N . 52246 1 191 . 1 . 1 199 199 GLY H H 1 8.267 0.000 . . . . . . . 401 GLY H . 52246 1 192 . 1 . 1 199 199 GLY N N 15 109.720 0.000 . . . . . . . 401 GLY N . 52246 1 193 . 1 . 1 200 200 GLY H H 1 8.163 0.000 . . . . . . . 402 GLY H . 52246 1 194 . 1 . 1 200 200 GLY N N 15 108.433 0.000 . . . . . . . 402 GLY N . 52246 1 195 . 1 . 1 201 201 GLN H H 1 8.086 0.000 . . . . . . . 403 GLN H . 52246 1 196 . 1 . 1 201 201 GLN N N 15 120.516 0.000 . . . . . . . 403 GLN N . 52246 1 197 . 1 . 1 204 204 GLU H H 1 8.480 0.000 . . . . . . . 406 GLU H . 52246 1 198 . 1 . 1 204 204 GLU N N 15 119.896 0.000 . . . . . . . 406 GLU N . 52246 1 199 . 1 . 1 205 205 GLY H H 1 8.181 0.000 . . . . . . . 407 GLY H . 52246 1 200 . 1 . 1 205 205 GLY N N 15 109.077 0.000 . . . . . . . 407 GLY N . 52246 1 201 . 1 . 1 206 206 ASP H H 1 8.086 0.000 . . . . . . . 408 ASP H . 52246 1 202 . 1 . 1 206 206 ASP N N 15 120.516 0.000 . . . . . . . 408 ASP N . 52246 1 203 . 1 . 1 208 208 ASP H H 1 8.217 0.000 . . . . . . . 410 ASP H . 52246 1 204 . 1 . 1 208 208 ASP N N 15 119.063 0.000 . . . . . . . 410 ASP N . 52246 1 205 . 1 . 1 209 209 LEU H H 1 8.128 0.000 . . . . . . . 411 LEU H . 52246 1 206 . 1 . 1 209 209 LEU N N 15 121.264 0.000 . . . . . . . 411 LEU N . 52246 1 207 . 1 . 1 210 210 ALA H H 1 8.026 0.000 . . . . . . . 412 ALA H . 52246 1 208 . 1 . 1 210 210 ALA N N 15 120.282 0.000 . . . . . . . 412 ALA N . 52246 1 209 . 1 . 1 212 212 ILE H H 1 7.750 0.000 . . . . . . . 414 ILE H . 52246 1 210 . 1 . 1 212 212 ILE N N 15 119.499 0.000 . . . . . . . 414 ILE N . 52246 1 211 . 1 . 1 213 213 LEU H H 1 8.217 0.000 . . . . . . . 415 LEU H . 52246 1 212 . 1 . 1 213 213 LEU N N 15 119.066 0.000 . . . . . . . 415 LEU N . 52246 1 213 . 1 . 1 214 214 GLU H H 1 7.930 0.000 . . . . . . . 416 GLU H . 52246 1 214 . 1 . 1 214 214 GLU N N 15 119.583 0.000 . . . . . . . 416 GLU N . 52246 1 215 . 1 . 1 215 215 GLU H H 1 7.892 0.000 . . . . . . . 417 GLU H . 52246 1 216 . 1 . 1 215 215 GLU N N 15 119.786 0.000 . . . . . . . 417 GLU N . 52246 1 217 . 1 . 1 216 216 VAL H H 1 8.279 0.000 . . . . . . . 418 VAL H . 52246 1 218 . 1 . 1 216 216 VAL N N 15 117.907 0.000 . . . . . . . 418 VAL N . 52246 1 219 . 1 . 1 217 217 ARG H H 1 8.117 0.000 . . . . . . . 419 ARG H . 52246 1 220 . 1 . 1 217 217 ARG N N 15 119.949 0.000 . . . . . . . 419 ARG N . 52246 1 221 . 1 . 1 218 218 TYR H H 1 7.911 0.000 . . . . . . . 420 TYR H . 52246 1 222 . 1 . 1 218 218 TYR N N 15 118.799 0.000 . . . . . . . 420 TYR N . 52246 1 223 . 1 . 1 219 219 ILE H H 1 8.037 0.000 . . . . . . . 421 ILE H . 52246 1 224 . 1 . 1 219 219 ILE N N 15 118.702 0.000 . . . . . . . 421 ILE N . 52246 1 225 . 1 . 1 220 220 ALA H H 1 8.485 0.000 . . . . . . . 422 ALA H . 52246 1 226 . 1 . 1 220 220 ALA N N 15 121.128 0.000 . . . . . . . 422 ALA N . 52246 1 227 . 1 . 1 221 221 ASN H H 1 7.956 0.000 . . . . . . . 423 ASN H . 52246 1 228 . 1 . 1 221 221 ASN N N 15 114.583 0.000 . . . . . . . 423 ASN N . 52246 1 229 . 1 . 1 222 222 ARG H H 1 7.754 0.000 . . . . . . . 424 ARG H . 52246 1 230 . 1 . 1 222 222 ARG N N 15 118.735 0.000 . . . . . . . 424 ARG N . 52246 1 231 . 1 . 1 223 223 PHE H H 1 7.710 0.000 . . . . . . . 425 PHE H . 52246 1 232 . 1 . 1 223 223 PHE N N 15 118.157 0.000 . . . . . . . 425 PHE N . 52246 1 233 . 1 . 1 224 224 ARG H H 1 8.310 0.000 . . . . . . . 426 ARG H . 52246 1 234 . 1 . 1 224 224 ARG N N 15 122.475 0.000 . . . . . . . 426 ARG N . 52246 1 235 . 1 . 1 225 225 CYS H H 1 8.159 0.000 . . . . . . . 427 CYS H . 52246 1 236 . 1 . 1 225 225 CYS N N 15 116.137 0.000 . . . . . . . 427 CYS N . 52246 1 237 . 1 . 1 227 227 ASP H H 1 8.158 0.000 . . . . . . . 429 ASP H . 52246 1 238 . 1 . 1 227 227 ASP N N 15 120.016 0.000 . . . . . . . 429 ASP N . 52246 1 239 . 1 . 1 228 228 GLU H H 1 8.203 0.000 . . . . . . . 430 GLU H . 52246 1 240 . 1 . 1 228 228 GLU N N 15 120.741 0.000 . . . . . . . 430 GLU N . 52246 1 241 . 1 . 1 229 229 SER H H 1 8.168 0.000 . . . . . . . 431 SER H . 52246 1 242 . 1 . 1 229 229 SER N N 15 115.484 0.000 . . . . . . . 431 SER N . 52246 1 243 . 1 . 1 230 230 GLU H H 1 8.243 0.000 . . . . . . . 432 GLU H . 52246 1 244 . 1 . 1 230 230 GLU N N 15 122.120 0.000 . . . . . . . 432 GLU N . 52246 1 245 . 1 . 1 231 231 ALA H H 1 8.041 0.000 . . . . . . . 433 ALA H . 52246 1 246 . 1 . 1 231 231 ALA N N 15 122.991 0.000 . . . . . . . 433 ALA N . 52246 1 247 . 1 . 1 232 232 VAL H H 1 7.799 0.000 . . . . . . . 434 VAL H . 52246 1 248 . 1 . 1 232 232 VAL N N 15 116.224 0.000 . . . . . . . 434 VAL N . 52246 1 249 . 1 . 1 235 235 GLU H H 1 8.381 0.000 . . . . . . . 437 GLU H . 52246 1 250 . 1 . 1 235 235 GLU N N 15 121.548 0.000 . . . . . . . 437 GLU N . 52246 1 251 . 1 . 1 236 236 TRP HE1 H 1 10.442 0.000 . . . . . . . 438 TRP HE1 . 52246 1 252 . 1 . 1 236 236 TRP NE1 N 15 129.920 0.000 . . . . . . . 438 TRP NE1 . 52246 1 253 . 1 . 1 237 237 LYS H H 1 7.753 0.000 . . . . . . . 439 LYS H . 52246 1 254 . 1 . 1 237 237 LYS N N 15 120.062 0.000 . . . . . . . 439 LYS N . 52246 1 255 . 1 . 1 239 239 ALA H H 1 7.758 0.000 . . . . . . . 441 ALA H . 52246 1 256 . 1 . 1 239 239 ALA N N 15 118.420 0.000 . . . . . . . 441 ALA N . 52246 1 257 . 1 . 1 242 242 VAL H H 1 7.695 0.000 . . . . . . . 444 VAL H . 52246 1 258 . 1 . 1 242 242 VAL N N 15 118.605 0.000 . . . . . . . 444 VAL N . 52246 1 stop_ save_