################################### # 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 52211 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'assigned chem shift list 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 $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 HSQC' . . . 52211 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 . . 52211 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 4 4 LEU H H 1 8.66051 0.01 . 1 . . . . . 287 L H . 52211 1 2 . 1 . 1 4 4 LEU N N 15 123.64487 0.05 . 1 . . . . . 287 L N . 52211 1 3 . 1 . 1 5 5 SER H H 1 9.12437 0.01 . 1 . . . . . 288 S H . 52211 1 4 . 1 . 1 5 5 SER N N 15 117.54073 0.05 . 1 . . . . . 288 S N . 52211 1 5 . 1 . 1 6 6 GLN H H 1 8.96173 0.01 . 1 . . . . . 289 Q H . 52211 1 6 . 1 . 1 6 6 GLN N N 15 121.56678 0.05 . 1 . . . . . 289 Q N . 52211 1 7 . 1 . 1 7 7 GLU H H 1 8.57300 0.01 . 1 . . . . . 290 E H . 52211 1 8 . 1 . 1 7 7 GLU N N 15 119.30700 0.05 . 1 . . . . . 290 E N . 52211 1 9 . 1 . 1 8 8 PHE H H 1 7.07618 0.01 . 1 . . . . . 291 F H . 52211 1 10 . 1 . 1 8 8 PHE N N 15 114.98398 0.05 . 1 . . . . . 291 F N . 52211 1 11 . 1 . 1 9 9 GLU H H 1 8.49463 0.01 . 1 . . . . . 292 E H . 52211 1 12 . 1 . 1 9 9 GLU N N 15 120.45210 0.05 . 1 . . . . . 292 E N . 52211 1 13 . 1 . 1 10 10 ALA H H 1 7.90657 0.01 . 1 . . . . . 293 A H . 52211 1 14 . 1 . 1 10 10 ALA N N 15 120.45206 0.05 . 1 . . . . . 293 A N . 52211 1 15 . 1 . 1 11 11 TYR H H 1 7.22899 0.01 . 1 . . . . . 294 Y H . 52211 1 16 . 1 . 1 11 11 TYR N N 15 117.75719 0.05 . 1 . . . . . 294 Y N . 52211 1 17 . 1 . 1 12 12 ILE H H 1 7.81237 0.01 . 1 . . . . . 295 I H . 52211 1 18 . 1 . 1 12 12 ILE N N 15 118.08897 0.05 . 1 . . . . . 295 I N . 52211 1 19 . 1 . 1 13 13 ASN H H 1 9.04174 0.01 . 1 . . . . . 296 N H . 52211 1 20 . 1 . 1 13 13 ASN N N 15 123.19205 0.05 . 1 . . . . . 296 N N . 52211 1 21 . 1 . 1 14 14 ALA H H 1 7.97296 0.01 . 1 . . . . . 297 A H . 52211 1 22 . 1 . 1 14 14 ALA N N 15 121.28986 0.05 . 1 . . . . . 297 A N . 52211 1 23 . 1 . 1 15 15 SER H H 1 7.70128 0.01 . 1 . . . . . 298 S H . 52211 1 24 . 1 . 1 15 15 SER N N 15 115.94756 0.05 . 1 . . . . . 298 S N . 52211 1 25 . 1 . 1 16 16 GLY H H 1 7.51681 0.01 . 1 . . . . . 299 G H . 52211 1 26 . 1 . 1 16 16 GLY N N 15 109.33806 0.05 . 1 . . . . . 299 G N . 52211 1 27 . 1 . 1 17 17 GLU H H 1 9.01748 0.01 . 1 . . . . . 300 E H . 52211 1 28 . 1 . 1 17 17 GLU N N 15 122.61047 0.05 . 1 . . . . . 300 E N . 52211 1 29 . 1 . 1 19 19 GLY H H 1 7.03656 0.01 . 1 . . . . . 302 G H . 52211 1 30 . 1 . 1 19 19 GLY N N 15 106.05798 0.05 . 1 . . . . . 302 G N . 52211 1 31 . 1 . 1 20 20 ILE H H 1 8.16040 0.01 . 1 . . . . . 303 I H . 52211 1 32 . 1 . 1 20 20 ILE N N 15 107.99061 0.05 . 1 . . . . . 303 I N . 52211 1 33 . 1 . 1 21 21 VAL H H 1 8.83861 0.01 . 1 . . . . . 304 V H . 52211 1 34 . 1 . 1 21 21 VAL N N 15 121.45229 0.05 . 1 . . . . . 304 V N . 52211 1 35 . 1 . 1 22 22 VAL H H 1 7.96313 0.01 . 1 . . . . . 305 V H . 52211 1 36 . 1 . 1 22 22 VAL N N 15 126.08366 0.05 . 1 . . . . . 305 V N . 52211 1 37 . 1 . 1 23 23 PHE H H 1 9.36040 0.01 . 1 . . . . . 306 F H . 52211 1 38 . 1 . 1 23 23 PHE N N 15 130.60585 0.05 . 1 . . . . . 306 F N . 52211 1 39 . 1 . 1 32 32 ILE H H 1 8.29719 0.01 . 1 . . . . . 315 I H . 52211 1 40 . 1 . 1 32 32 ILE N N 15 124.04531 0.05 . 1 . . . . . 315 I N . 52211 1 41 . 1 . 1 35 35 LYS H H 1 9.11000 0.01 . 1 . . . . . 318 K H . 52211 1 42 . 1 . 1 35 35 LYS N N 15 116.66850 0.05 . 1 . . . . . 318 K N . 52211 1 43 . 1 . 1 36 36 LYS H H 1 7.36186 0.01 . 1 . . . . . 319 K H . 52211 1 44 . 1 . 1 36 36 LYS N N 15 119.20870 0.05 . 1 . . . . . 319 K N . 52211 1 45 . 1 . 1 37 37 ALA H H 1 8.58836 0.01 . 1 . . . . . 320 A H . 52211 1 46 . 1 . 1 37 37 ALA N N 15 123.60741 0.05 . 1 . . . . . 320 A N . 52211 1 47 . 1 . 1 38 38 MET H H 1 8.21059 0.01 . 1 . . . . . 321 M H . 52211 1 48 . 1 . 1 38 38 MET N N 15 114.85012 0.05 . 1 . . . . . 321 M N . 52211 1 49 . 1 . 1 39 39 ALA H H 1 7.53509 0.01 . 1 . . . . . 322 A H . 52211 1 50 . 1 . 1 39 39 ALA N N 15 124.81307 0.05 . 1 . . . . . 322 A N . 52211 1 51 . 1 . 1 40 40 ILE H H 1 8.05241 0.01 . 1 . . . . . 323 I H . 52211 1 52 . 1 . 1 40 40 ILE N N 15 117.63818 0.05 . 1 . . . . . 323 I N . 52211 1 53 . 1 . 1 41 41 ALA H H 1 8.43815 0.01 . 1 . . . . . 324 A H . 52211 1 54 . 1 . 1 41 41 ALA N N 15 120.24236 0.05 . 1 . . . . . 324 A N . 52211 1 55 . 1 . 1 42 42 ASP H H 1 7.95883 0.01 . 1 . . . . . 325 D H . 52211 1 56 . 1 . 1 42 42 ASP N N 15 117.12897 0.05 . 1 . . . . . 325 D N . 52211 1 57 . 1 . 1 43 43 ALA H H 1 7.42623 0.01 . 1 . . . . . 326 A H . 52211 1 58 . 1 . 1 43 43 ALA N N 15 121.80048 0.05 . 1 . . . . . 326 A N . 52211 1 59 . 1 . 1 44 44 LEU H H 1 8.12265 0.01 . 1 . . . . . 327 L H . 52211 1 60 . 1 . 1 44 44 LEU N N 15 113.18305 0.05 . 1 . . . . . 327 L N . 52211 1 61 . 1 . 1 45 45 GLY H H 1 7.23138 0.01 . 1 . . . . . 328 G H . 52211 1 62 . 1 . 1 45 45 GLY N N 15 105.54144 0.05 . 1 . . . . . 328 G N . 52211 1 63 . 1 . 1 46 46 LYS H H 1 7.49177 0.01 . 1 . . . . . 329 K H . 52211 1 64 . 1 . 1 46 46 LYS N N 15 118.15767 0.05 . 1 . . . . . 329 K N . 52211 1 65 . 1 . 1 47 47 ILE H H 1 6.99118 0.01 . 1 . . . . . 330 I H . 52211 1 66 . 1 . 1 47 47 ILE N N 15 111.69451 0.05 . 1 . . . . . 330 I N . 52211 1 67 . 1 . 1 49 49 GLN H H 1 6.74153 0.01 . 1 . . . . . 332 Q H . 52211 1 68 . 1 . 1 49 49 GLN N N 15 118.29358 0.05 . 1 . . . . . 332 Q N . 52211 1 69 . 1 . 1 50 50 THR H H 1 7.87000 0.01 . 1 . . . . . 333 T H . 52211 1 70 . 1 . 1 50 50 THR N N 15 116.44983 0.05 . 1 . . . . . 333 T N . 52211 1 71 . 1 . 1 51 51 VAL H H 1 9.23349 0.01 . 1 . . . . . 334 V H . 52211 1 72 . 1 . 1 51 51 VAL N N 15 128.61272 0.05 . 1 . . . . . 334 V N . 52211 1 73 . 1 . 1 52 52 LEU H H 1 8.74458 0.01 . 1 . . . . . 335 L H . 52211 1 74 . 1 . 1 52 52 LEU N N 15 127.43314 0.05 . 1 . . . . . 335 L N . 52211 1 75 . 1 . 1 53 53 TRP H H 1 9.28707 0.01 . 1 . . . . . 336 W H . 52211 1 76 . 1 . 1 53 53 TRP N N 15 127.27410 0.05 . 1 . . . . . 336 W N . 52211 1 77 . 1 . 1 54 54 ARG H H 1 8.73000 0.01 . 1 . . . . . 337 R H . 52211 1 78 . 1 . 1 54 54 ARG N N 15 127.43314 0.05 . 1 . . . . . 337 R N . 52211 1 79 . 1 . 1 55 55 TYR H H 1 8.27336 0.01 . 1 . . . . . 338 Y H . 52211 1 80 . 1 . 1 55 55 TYR N N 15 132.13721 0.05 . 1 . . . . . 338 Y N . 52211 1 81 . 1 . 1 56 56 THR H H 1 8.04491 0.01 . 1 . . . . . 339 T H . 52211 1 82 . 1 . 1 56 56 THR N N 15 116.03950 0.05 . 1 . . . . . 339 T N . 52211 1 83 . 1 . 1 58 58 THR H H 1 8.53761 0.01 . 1 . . . . . 341 T H . 52211 1 84 . 1 . 1 58 58 THR N N 15 116.00911 0.05 . 1 . . . . . 341 T N . 52211 1 85 . 1 . 1 59 59 ARG H H 1 8.84121 0.01 . 1 . . . . . 342 R H . 52211 1 86 . 1 . 1 59 59 ARG N N 15 130.27614 0.05 . 1 . . . . . 342 R N . 52211 1 87 . 1 . 1 61 61 SER H H 1 9.29200 0.01 . 1 . . . . . 344 S H . 52211 1 88 . 1 . 1 61 61 SER N N 15 120.21146 0.05 . 1 . . . . . 344 S N . 52211 1 89 . 1 . 1 62 62 ASN H H 1 8.88995 0.01 . 1 . . . . . 345 N H . 52211 1 90 . 1 . 1 62 62 ASN N N 15 118.86618 0.05 . 1 . . . . . 345 N N . 52211 1 91 . 1 . 1 63 63 LEU H H 1 6.87908 0.01 . 1 . . . . . 346 L H . 52211 1 92 . 1 . 1 63 63 LEU N N 15 120.17544 0.05 . 1 . . . . . 346 L N . 52211 1 93 . 1 . 1 64 64 ALA H H 1 9.67284 0.01 . 1 . . . . . 347 A H . 52211 1 94 . 1 . 1 64 64 ALA N N 15 133.18181 0.05 . 1 . . . . . 347 A N . 52211 1 95 . 1 . 1 65 65 ASN H H 1 8.70098 0.01 . 1 . . . . . 348 N H . 52211 1 96 . 1 . 1 65 65 ASN N N 15 116.38628 0.05 . 1 . . . . . 348 N N . 52211 1 97 . 1 . 1 66 66 ASN H H 1 8.20340 0.01 . 1 . . . . . 349 N H . 52211 1 98 . 1 . 1 66 66 ASN N N 15 116.87890 0.05 . 1 . . . . . 349 N N . 52211 1 99 . 1 . 1 67 67 THR H H 1 7.80984 0.01 . 1 . . . . . 350 T H . 52211 1 100 . 1 . 1 67 67 THR N N 15 117.51392 0.05 . 1 . . . . . 350 T N . 52211 1 101 . 1 . 1 68 68 ILE H H 1 9.33128 0.01 . 1 . . . . . 351 I H . 52211 1 102 . 1 . 1 68 68 ILE N N 15 128.97055 0.05 . 1 . . . . . 351 I N . 52211 1 103 . 1 . 1 69 69 LEU H H 1 8.37709 0.01 . 1 . . . . . 352 L H . 52211 1 104 . 1 . 1 69 69 LEU N N 15 126.79918 0.05 . 1 . . . . . 352 L N . 52211 1 105 . 1 . 1 70 70 VAL H H 1 8.69305 0.01 . 1 . . . . . 353 V H . 52211 1 106 . 1 . 1 70 70 VAL N N 15 117.01381 0.05 . 1 . . . . . 353 V N . 52211 1 107 . 1 . 1 71 71 LYS H H 1 8.88995 0.01 . 1 . . . . . 354 K H . 52211 1 108 . 1 . 1 71 71 LYS N N 15 118.99000 0.05 . 1 . . . . . 354 K N . 52211 1 109 . 1 . 1 72 72 TRP H H 1 7.66313 0.01 . 1 . . . . . 355 W H . 52211 1 110 . 1 . 1 72 72 TRP N N 15 117.39036 0.05 . 1 . . . . . 355 W N . 52211 1 111 . 1 . 1 73 73 LEU H H 1 7.18159 0.01 . 1 . . . . . 356 L H . 52211 1 112 . 1 . 1 73 73 LEU N N 15 119.84152 0.05 . 1 . . . . . 356 L N . 52211 1 113 . 1 . 1 75 75 GLN H H 1 7.47090 0.01 . 1 . . . . . 358 Q H . 52211 1 114 . 1 . 1 75 75 GLN N N 15 125.17748 0.05 . 1 . . . . . 358 Q N . 52211 1 115 . 1 . 1 76 76 ASN H H 1 8.66600 0.01 . 1 . . . . . 359 N H . 52211 1 116 . 1 . 1 76 76 ASN N N 15 117.09900 0.05 . 1 . . . . . 359 N N . 52211 1 117 . 1 . 1 77 77 ASP H H 1 7.87485 0.01 . 1 . . . . . 360 D H . 52211 1 118 . 1 . 1 77 77 ASP N N 15 118.90538 0.05 . 1 . . . . . 360 D N . 52211 1 119 . 1 . 1 80 80 GLY H H 1 7.12057 0.01 . 1 . . . . . 363 G H . 52211 1 120 . 1 . 1 80 80 GLY N N 15 103.76550 0.05 . 1 . . . . . 363 G N . 52211 1 121 . 1 . 1 81 81 HIS H H 1 7.69378 0.01 . 1 . . . . . 364 H H . 52211 1 122 . 1 . 1 81 81 HIS N N 15 125.58026 0.05 . 1 . . . . . 364 H N . 52211 1 123 . 1 . 1 83 83 MET H H 1 10.92721 0.01 . 1 . . . . . 366 M H . 52211 1 124 . 1 . 1 83 83 MET N N 15 118.39358 0.05 . 1 . . . . . 366 M N . 52211 1 125 . 1 . 1 84 84 THR H H 1 8.16512 0.01 . 1 . . . . . 367 T H . 52211 1 126 . 1 . 1 84 84 THR N N 15 120.83309 0.05 . 1 . . . . . 367 T N . 52211 1 127 . 1 . 1 85 85 ARG H H 1 9.87134 0.01 . 1 . . . . . 368 R H . 52211 1 128 . 1 . 1 85 85 ARG N N 15 125.25041 0.05 . 1 . . . . . 368 R N . 52211 1 129 . 1 . 1 86 86 ALA H H 1 7.21606 0.01 . 1 . . . . . 369 A H . 52211 1 130 . 1 . 1 86 86 ALA N N 15 112.15398 0.05 . 1 . . . . . 369 A N . 52211 1 131 . 1 . 1 87 87 PHE H H 1 7.98658 0.01 . 1 . . . . . 370 F H . 52211 1 132 . 1 . 1 87 87 PHE N N 15 122.10555 0.05 . 1 . . . . . 370 F N . 52211 1 133 . 1 . 1 88 88 ILE H H 1 9.40448 0.01 . 1 . . . . . 371 I H . 52211 1 134 . 1 . 1 88 88 ILE N N 15 128.37294 0.05 . 1 . . . . . 371 I N . 52211 1 135 . 1 . 1 91 91 ALA H H 1 8.43281 0.01 . 1 . . . . . 374 A H . 52211 1 136 . 1 . 1 91 91 ALA N N 15 113.18031 0.05 . 1 . . . . . 374 A N . 52211 1 137 . 1 . 1 92 92 GLY H H 1 8.38228 0.01 . 1 . . . . . 375 G H . 52211 1 138 . 1 . 1 92 92 GLY N N 15 104.38655 0.05 . 1 . . . . . 375 G N . 52211 1 139 . 1 . 1 93 93 SER H H 1 8.94781 0.01 . 1 . . . . . 376 S H . 52211 1 140 . 1 . 1 93 93 SER N N 15 117.96636 0.05 . 1 . . . . . 376 S N . 52211 1 141 . 1 . 1 95 95 GLY H H 1 8.26461 0.01 . 1 . . . . . 378 G H . 52211 1 142 . 1 . 1 95 95 GLY N N 15 108.56505 0.05 . 1 . . . . . 378 G N . 52211 1 143 . 1 . 1 96 96 VAL H H 1 7.99143 0.01 . 1 . . . . . 379 V H . 52211 1 144 . 1 . 1 96 96 VAL N N 15 120.57041 0.05 . 1 . . . . . 379 V N . 52211 1 145 . 1 . 1 100 100 ILE H H 1 8.46544 0.01 . 1 . . . . . 383 I H . 52211 1 146 . 1 . 1 100 100 ILE N N 15 119.00179 0.05 . 1 . . . . . 383 I N . 52211 1 147 . 1 . 1 101 101 ALA H H 1 8.32800 0.01 . 1 . . . . . 384 A H . 52211 1 148 . 1 . 1 101 101 ALA N N 15 121.54353 0.05 . 1 . . . . . 384 A N . 52211 1 149 . 1 . 1 102 102 ASN H H 1 7.27100 0.01 . 1 . . . . . 385 N H . 52211 1 150 . 1 . 1 102 102 ASN N N 15 111.03094 0.05 . 1 . . . . . 385 N N . 52211 1 151 . 1 . 1 103 103 GLY H H 1 7.99111 0.01 . 1 . . . . . 386 G H . 52211 1 152 . 1 . 1 103 103 GLY N N 15 111.94855 0.05 . 1 . . . . . 386 G N . 52211 1 153 . 1 . 1 104 104 VAL H H 1 8.23210 0.01 . 1 . . . . . 387 V H . 52211 1 154 . 1 . 1 104 104 VAL N N 15 122.02414 0.05 . 1 . . . . . 387 V N . 52211 1 155 . 1 . 1 106 106 MET H H 1 7.32398 0.01 . 1 . . . . . 389 M H . 52211 1 156 . 1 . 1 106 106 MET N N 15 113.87762 0.05 . 1 . . . . . 389 M N . 52211 1 157 . 1 . 1 107 107 VAL H H 1 8.43030 0.01 . 1 . . . . . 390 V H . 52211 1 158 . 1 . 1 107 107 VAL N N 15 120.85160 0.05 . 1 . . . . . 390 V N . 52211 1 159 . 1 . 1 108 108 MET H H 1 9.11108 0.01 . 1 . . . . . 391 M H . 52211 1 160 . 1 . 1 108 108 MET N N 15 125.46043 0.05 . 1 . . . . . 391 M N . 52211 1 161 . 1 . 1 109 109 MET H H 1 9.15556 0.01 . 1 . . . . . 392 M H . 52211 1 162 . 1 . 1 109 109 MET N N 15 122.38860 0.05 . 1 . . . . . 392 M N . 52211 1 163 . 1 . 1 114 114 ASP H H 1 8.92612 0.01 . 1 . . . . . 397 D H . 52211 1 164 . 1 . 1 114 114 ASP N N 15 123.42269 0.05 . 1 . . . . . 397 D N . 52211 1 165 . 1 . 1 115 115 GLN H H 1 7.57930 0.01 . 1 . . . . . 398 Q H . 52211 1 166 . 1 . 1 115 115 GLN N N 15 119.84601 0.05 . 1 . . . . . 398 Q N . 52211 1 167 . 1 . 1 117 117 ASP H H 1 7.87481 0.01 . 1 . . . . . 400 D H . 52211 1 168 . 1 . 1 117 117 ASP N N 15 120.32800 0.05 . 1 . . . . . 400 D N . 52211 1 169 . 1 . 1 118 118 ASN H H 1 8.19946 0.01 . 1 . . . . . 401 N H . 52211 1 170 . 1 . 1 118 118 ASN N N 15 119.70454 0.05 . 1 . . . . . 401 N N . 52211 1 171 . 1 . 1 119 119 ALA H H 1 8.60239 0.01 . 1 . . . . . 402 A H . 52211 1 172 . 1 . 1 119 119 ALA N N 15 122.35468 0.05 . 1 . . . . . 402 A N . 52211 1 173 . 1 . 1 123 123 GLU H H 1 9.00278 0.01 . 1 . . . . . 406 E H . 52211 1 174 . 1 . 1 123 123 GLU N N 15 122.73550 0.05 . 1 . . . . . 406 E N . 52211 1 175 . 1 . 1 124 124 THR H H 1 8.38676 0.01 . 1 . . . . . 407 T H . 52211 1 176 . 1 . 1 124 124 THR N N 15 117.69147 0.05 . 1 . . . . . 407 T N . 52211 1 177 . 1 . 1 125 125 LYS H H 1 7.41627 0.01 . 1 . . . . . 408 K H . 52211 1 178 . 1 . 1 125 125 LYS N N 15 118.30733 0.05 . 1 . . . . . 408 K N . 52211 1 179 . 1 . 1 126 126 GLY H H 1 7.90100 0.01 . 1 . . . . . 409 G H . 52211 1 180 . 1 . 1 126 126 GLY N N 15 107.45759 0.05 . 1 . . . . . 409 G N . 52211 1 181 . 1 . 1 128 128 GLY H H 1 7.23826 0.01 . 1 . . . . . 411 G H . 52211 1 182 . 1 . 1 128 128 GLY N N 15 104.68167 0.05 . 1 . . . . . 411 G N . 52211 1 183 . 1 . 1 129 129 VAL H H 1 7.75534 0.01 . 1 . . . . . 412 V H . 52211 1 184 . 1 . 1 129 129 VAL N N 15 116.70363 0.05 . 1 . . . . . 412 V N . 52211 1 185 . 1 . 1 130 130 THR H H 1 8.46512 0.01 . 1 . . . . . 413 T H . 52211 1 186 . 1 . 1 130 130 THR N N 15 123.44341 0.05 . 1 . . . . . 413 T N . 52211 1 187 . 1 . 1 131 131 LEU H H 1 9.16583 0.01 . 1 . . . . . 414 L H . 52211 1 188 . 1 . 1 131 131 LEU N N 15 126.63648 0.05 . 1 . . . . . 414 L N . 52211 1 189 . 1 . 1 132 132 ASN H H 1 8.71272 0.01 . 1 . . . . . 415 N H . 52211 1 190 . 1 . 1 132 132 ASN N N 15 119.86024 0.05 . 1 . . . . . 415 N N . 52211 1 191 . 1 . 1 133 133 VAL H H 1 9.07843 0.01 . 1 . . . . . 416 V H . 52211 1 192 . 1 . 1 133 133 VAL N N 15 125.29089 0.05 . 1 . . . . . 416 V N . 52211 1 193 . 1 . 1 134 134 LEU H H 1 7.80483 0.01 . 1 . . . . . 417 L H . 52211 1 194 . 1 . 1 134 134 LEU N N 15 117.54102 0.05 . 1 . . . . . 417 L N . 52211 1 195 . 1 . 1 135 135 GLU H H 1 7.20789 0.01 . 1 . . . . . 418 E H . 52211 1 196 . 1 . 1 135 135 GLU N N 15 116.00013 0.05 . 1 . . . . . 418 E N . 52211 1 197 . 1 . 1 136 136 MET H H 1 7.87106 0.01 . 1 . . . . . 419 M H . 52211 1 198 . 1 . 1 136 136 MET N N 15 119.51469 0.05 . 1 . . . . . 419 M N . 52211 1 199 . 1 . 1 137 137 THR H H 1 8.93859 0.01 . 1 . . . . . 420 T H . 52211 1 200 . 1 . 1 137 137 THR N N 15 114.41431 0.05 . 1 . . . . . 420 T N . 52211 1 201 . 1 . 1 138 138 SER H H 1 9.06982 0.01 . 1 . . . . . 421 S H . 52211 1 202 . 1 . 1 138 138 SER N N 15 114.55412 0.05 . 1 . . . . . 421 S N . 52211 1 203 . 1 . 1 139 139 GLU H H 1 8.59008 0.01 . 1 . . . . . 422 E H . 52211 1 204 . 1 . 1 139 139 GLU N N 15 119.19778 0.05 . 1 . . . . . 422 E N . 52211 1 205 . 1 . 1 140 140 ASP H H 1 7.68082 0.01 . 1 . . . . . 423 D H . 52211 1 206 . 1 . 1 140 140 ASP N N 15 118.03598 0.05 . 1 . . . . . 423 D N . 52211 1 207 . 1 . 1 141 141 LEU H H 1 7.38579 0.01 . 1 . . . . . 424 L H . 52211 1 208 . 1 . 1 141 141 LEU N N 15 120.41708 0.05 . 1 . . . . . 424 L N . 52211 1 209 . 1 . 1 142 142 GLU H H 1 8.86713 0.01 . 1 . . . . . 425 E H . 52211 1 210 . 1 . 1 142 142 GLU N N 15 121.73727 0.05 . 1 . . . . . 425 E N . 52211 1 211 . 1 . 1 143 143 ASN H H 1 8.58511 0.01 . 1 . . . . . 426 N H . 52211 1 212 . 1 . 1 143 143 ASN N N 15 115.24760 0.05 . 1 . . . . . 426 N N . 52211 1 213 . 1 . 1 144 144 ALA H H 1 7.74163 0.01 . 1 . . . . . 427 A H . 52211 1 214 . 1 . 1 144 144 ALA N N 15 123.85994 0.05 . 1 . . . . . 427 A N . 52211 1 215 . 1 . 1 145 145 LEU H H 1 8.17636 0.01 . 1 . . . . . 428 L H . 52211 1 216 . 1 . 1 145 145 LEU N N 15 116.63464 0.05 . 1 . . . . . 428 L N . 52211 1 217 . 1 . 1 146 146 LYS H H 1 8.18637 0.01 . 1 . . . . . 429 K H . 52211 1 218 . 1 . 1 146 146 LYS N N 15 115.81488 0.05 . 1 . . . . . 429 K N . 52211 1 219 . 1 . 1 147 147 ALA H H 1 7.72175 0.01 . 1 . . . . . 430 A H . 52211 1 220 . 1 . 1 147 147 ALA N N 15 121.41674 0.05 . 1 . . . . . 430 A N . 52211 1 221 . 1 . 1 148 148 VAL H H 1 7.60868 0.01 . 1 . . . . . 431 V H . 52211 1 222 . 1 . 1 148 148 VAL N N 15 109.92999 0.05 . 1 . . . . . 431 V N . 52211 1 223 . 1 . 1 149 149 ILE H H 1 7.85635 0.01 . 1 . . . . . 432 I H . 52211 1 224 . 1 . 1 149 149 ILE N N 15 116.44983 0.05 . 1 . . . . . 432 I N . 52211 1 225 . 1 . 1 150 150 ASN H H 1 7.79082 0.01 . 1 . . . . . 433 N H . 52211 1 226 . 1 . 1 150 150 ASN N N 15 114.13728 0.05 . 1 . . . . . 433 N N . 52211 1 227 . 1 . 1 151 151 ASP H H 1 8.54265 0.01 . 1 . . . . . 434 D H . 52211 1 228 . 1 . 1 151 151 ASP N N 15 121.91520 0.05 . 1 . . . . . 434 D N . 52211 1 229 . 1 . 1 152 152 LYS H H 1 8.87519 0.01 . 1 . . . . . 435 K H . 52211 1 230 . 1 . 1 152 152 LYS N N 15 126.72305 0.05 . 1 . . . . . 435 K N . 52211 1 231 . 1 . 1 153 153 SER H H 1 8.66643 0.01 . 1 . . . . . 436 S H . 52211 1 232 . 1 . 1 153 153 SER N N 15 115.88517 0.05 . 1 . . . . . 436 S N . 52211 1 233 . 1 . 1 154 154 TYR H H 1 7.02831 0.01 . 1 . . . . . 437 Y H . 52211 1 234 . 1 . 1 154 154 TYR N N 15 119.80037 0.05 . 1 . . . . . 437 Y N . 52211 1 235 . 1 . 1 155 155 LYS H H 1 8.07913 0.01 . 1 . . . . . 438 K H . 52211 1 236 . 1 . 1 155 155 LYS N N 15 120.53561 0.05 . 1 . . . . . 438 K N . 52211 1 237 . 1 . 1 156 156 GLU H H 1 8.22931 0.01 . 1 . . . . . 439 E H . 52211 1 238 . 1 . 1 156 156 GLU N N 15 117.80561 0.05 . 1 . . . . . 439 E N . 52211 1 239 . 1 . 1 157 157 ASN H H 1 8.71369 0.01 . 1 . . . . . 440 N H . 52211 1 240 . 1 . 1 157 157 ASN N N 15 117.82487 0.05 . 1 . . . . . 440 N N . 52211 1 241 . 1 . 1 158 158 ILE H H 1 8.56392 0.01 . 1 . . . . . 441 I H . 52211 1 242 . 1 . 1 158 158 ILE N N 15 121.56242 0.05 . 1 . . . . . 441 I N . 52211 1 243 . 1 . 1 159 159 MET H H 1 8.30284 0.01 . 1 . . . . . 442 M H . 52211 1 244 . 1 . 1 159 159 MET N N 15 122.68439 0.05 . 1 . . . . . 442 M N . 52211 1 245 . 1 . 1 160 160 ARG H H 1 7.64248 0.01 . 1 . . . . . 443 R H . 52211 1 246 . 1 . 1 160 160 ARG N N 15 119.01488 0.05 . 1 . . . . . 443 R N . 52211 1 247 . 1 . 1 161 161 LEU H H 1 7.53676 0.01 . 1 . . . . . 444 L H . 52211 1 248 . 1 . 1 161 161 LEU N N 15 118.44433 0.05 . 1 . . . . . 444 L N . 52211 1 249 . 1 . 1 162 162 SER H H 1 8.04681 0.01 . 1 . . . . . 445 S H . 52211 1 250 . 1 . 1 162 162 SER N N 15 114.17971 0.05 . 1 . . . . . 445 S N . 52211 1 251 . 1 . 1 163 163 SER H H 1 7.93554 0.01 . 1 . . . . . 446 S H . 52211 1 252 . 1 . 1 163 163 SER N N 15 115.70543 0.05 . 1 . . . . . 446 S N . 52211 1 253 . 1 . 1 164 164 LEU H H 1 7.79164 0.01 . 1 . . . . . 447 L H . 52211 1 254 . 1 . 1 164 164 LEU N N 15 122.18227 0.05 . 1 . . . . . 447 L N . 52211 1 255 . 1 . 1 165 165 HIS H H 1 8.03528 0.01 . 1 . . . . . 448 H H . 52211 1 256 . 1 . 1 165 165 HIS N N 15 119.41487 0.05 . 1 . . . . . 448 H N . 52211 1 257 . 1 . 1 166 166 LYS H H 1 7.98929 0.01 . 1 . . . . . 449 K H . 52211 1 258 . 1 . 1 166 166 LYS N N 15 123.26888 0.05 . 1 . . . . . 449 K N . 52211 1 259 . 1 . 1 167 167 ASP H H 1 7.98447 0.01 . 1 . . . . . 450 D H . 52211 1 260 . 1 . 1 167 167 ASP N N 15 127.29656 0.05 . 1 . . . . . 450 D N . 52211 1 stop_ save_