################################### # 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 52214 _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' . . . 52214 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 . . 52214 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 8.66254 . . . . . . . . 287 L H . 52214 1 2 . 1 . 1 4 4 LEU N N 15 123.63770 . . . . . . . . 287 L N . 52214 1 3 . 1 . 1 5 5 SER H H 1 9.12347 . . . . . . . . 288 S H . 52214 1 4 . 1 . 1 5 5 SER N N 15 117.51357 . . . . . . . . 288 S N . 52214 1 5 . 1 . 1 6 6 GLN H H 1 8.96000 . . . . . . . . 289 Q H . 52214 1 6 . 1 . 1 6 6 GLN N N 15 121.55961 . . . . . . . . 289 Q N . 52214 1 7 . 1 . 1 7 7 GLU H H 1 8.57500 . . . . . . . . 290 E H . 52214 1 8 . 1 . 1 7 7 GLU N N 15 119.31000 . . . . . . . . 290 E N . 52214 1 9 . 1 . 1 8 8 PHE H H 1 7.07876 . . . . . . . . 291 F H . 52214 1 10 . 1 . 1 8 8 PHE N N 15 114.98532 . . . . . . . . 291 F N . 52214 1 11 . 1 . 1 9 9 GLU H H 1 8.49258 . . . . . . . . 292 E H . 52214 1 12 . 1 . 1 9 9 GLU N N 15 120.42709 . . . . . . . . 292 E N . 52214 1 13 . 1 . 1 11 11 TYR H H 1 7.22863 . . . . . . . . 294 Y H . 52214 1 14 . 1 . 1 11 11 TYR N N 15 117.73968 . . . . . . . . 294 Y N . 52214 1 15 . 1 . 1 12 12 ILE H H 1 7.81702 . . . . . . . . 295 I H . 52214 1 16 . 1 . 1 12 12 ILE N N 15 118.13582 . . . . . . . . 295 I N . 52214 1 17 . 1 . 1 13 13 ASN H H 1 9.04592 . . . . . . . . 296 N H . 52214 1 18 . 1 . 1 13 13 ASN N N 15 123.21693 . . . . . . . . 296 N N . 52214 1 19 . 1 . 1 14 14 ALA H H 1 7.97389 . . . . . . . . 297 A H . 52214 1 20 . 1 . 1 14 14 ALA N N 15 121.28944 . . . . . . . . 297 A N . 52214 1 21 . 1 . 1 15 15 SER H H 1 7.70435 . . . . . . . . 298 S H . 52214 1 22 . 1 . 1 15 15 SER N N 15 115.94378 . . . . . . . . 298 S N . 52214 1 23 . 1 . 1 16 16 GLY H H 1 7.51719 . . . . . . . . 299 G H . 52214 1 24 . 1 . 1 16 16 GLY N N 15 109.32529 . . . . . . . . 299 G N . 52214 1 25 . 1 . 1 17 17 GLU H H 1 9.02124 . . . . . . . . 300 E H . 52214 1 26 . 1 . 1 17 17 GLU N N 15 122.65533 . . . . . . . . 300 E N . 52214 1 27 . 1 . 1 19 19 GLY H H 1 7.03591 . . . . . . . . 302 G H . 52214 1 28 . 1 . 1 19 19 GLY N N 15 106.09566 . . . . . . . . 302 G N . 52214 1 29 . 1 . 1 20 20 ILE H H 1 8.15987 . . . . . . . . 303 I H . 52214 1 30 . 1 . 1 20 20 ILE N N 15 107.99746 . . . . . . . . 303 I N . 52214 1 31 . 1 . 1 21 21 VAL H H 1 8.85092 . . . . . . . . 304 V H . 52214 1 32 . 1 . 1 21 21 VAL N N 15 121.44691 . . . . . . . . 304 V N . 52214 1 33 . 1 . 1 22 22 VAL H H 1 7.96392 . . . . . . . . 305 V H . 52214 1 34 . 1 . 1 22 22 VAL N N 15 126.08604 . . . . . . . . 305 V N . 52214 1 35 . 1 . 1 23 23 PHE H H 1 9.35708 . . . . . . . . 306 F H . 52214 1 36 . 1 . 1 23 23 PHE N N 15 130.50925 . . . . . . . . 306 F N . 52214 1 37 . 1 . 1 32 32 ILE H H 1 8.34384 . . . . . . . . 315 I H . 52214 1 38 . 1 . 1 32 32 ILE N N 15 124.69026 . . . . . . . . 315 I N . 52214 1 39 . 1 . 1 35 35 LYS H H 1 9.11486 . . . . . . . . 318 K H . 52214 1 40 . 1 . 1 35 35 LYS N N 15 116.66615 . . . . . . . . 318 K N . 52214 1 41 . 1 . 1 36 36 LYS H H 1 7.31466 . . . . . . . . 319 K H . 52214 1 42 . 1 . 1 36 36 LYS N N 15 119.32580 . . . . . . . . 319 K N . 52214 1 43 . 1 . 1 37 37 ALA H H 1 8.62300 . . . . . . . . 320 A H . 52214 1 44 . 1 . 1 37 37 ALA N N 15 123.45000 . . . . . . . . 320 A N . 52214 1 45 . 1 . 1 38 38 MET H H 1 8.25589 . . . . . . . . 321 M H . 52214 1 46 . 1 . 1 38 38 MET N N 15 114.73202 . . . . . . . . 321 M N . 52214 1 47 . 1 . 1 39 39 ALA H H 1 7.54078 . . . . . . . . 322 A H . 52214 1 48 . 1 . 1 39 39 ALA N N 15 124.77422 . . . . . . . . 322 A N . 52214 1 49 . 1 . 1 40 40 ILE H H 1 8.06699 . . . . . . . . 323 I H . 52214 1 50 . 1 . 1 40 40 ILE N N 15 117.64062 . . . . . . . . 323 I N . 52214 1 51 . 1 . 1 42 42 ASP H H 1 7.97031 . . . . . . . . 325 D H . 52214 1 52 . 1 . 1 42 42 ASP N N 15 117.11951 . . . . . . . . 325 D N . 52214 1 53 . 1 . 1 43 43 ALA H H 1 7.43532 . . . . . . . . 326 A H . 52214 1 54 . 1 . 1 43 43 ALA N N 15 121.79705 . . . . . . . . 326 A N . 52214 1 55 . 1 . 1 44 44 LEU H H 1 8.11392 . . . . . . . . 327 L H . 52214 1 56 . 1 . 1 44 44 LEU N N 15 113.15672 . . . . . . . . 327 L N . 52214 1 57 . 1 . 1 45 45 GLY H H 1 7.22652 . . . . . . . . 328 G H . 52214 1 58 . 1 . 1 45 45 GLY N N 15 105.63745 . . . . . . . . 328 G N . 52214 1 59 . 1 . 1 47 47 ILE H H 1 6.99242 . . . . . . . . 330 I H . 52214 1 60 . 1 . 1 47 47 ILE N N 15 111.68453 . . . . . . . . 330 I N . 52214 1 61 . 1 . 1 49 49 GLN H H 1 6.74844 . . . . . . . . 332 Q H . 52214 1 62 . 1 . 1 49 49 GLN N N 15 118.35682 . . . . . . . . 332 Q N . 52214 1 63 . 1 . 1 51 51 VAL H H 1 9.23820 . . . . . . . . 334 V H . 52214 1 64 . 1 . 1 51 51 VAL N N 15 128.65688 . . . . . . . . 334 V N . 52214 1 65 . 1 . 1 52 52 LEU H H 1 8.76366 . . . . . . . . 335 L H . 52214 1 66 . 1 . 1 52 52 LEU N N 15 127.40439 . . . . . . . . 335 L N . 52214 1 67 . 1 . 1 53 53 TRP H H 1 9.28515 . . . . . . . . 336 W H . 52214 1 68 . 1 . 1 53 53 TRP N N 15 127.27882 . . . . . . . . 336 W N . 52214 1 69 . 1 . 1 54 54 ARG H H 1 8.72461 . . . . . . . . 337 R H . 52214 1 70 . 1 . 1 54 54 ARG N N 15 127.41827 . . . . . . . . 337 R N . 52214 1 71 . 1 . 1 55 55 TYR H H 1 8.28315 . . . . . . . . 338 Y H . 52214 1 72 . 1 . 1 55 55 TYR N N 15 132.17442 . . . . . . . . 338 Y N . 52214 1 73 . 1 . 1 56 56 THR H H 1 8.05880 . . . . . . . . 339 T H . 52214 1 74 . 1 . 1 56 56 THR N N 15 116.05670 . . . . . . . . 339 T N . 52214 1 75 . 1 . 1 58 58 THR H H 1 8.58338 . . . . . . . . 341 T H . 52214 1 76 . 1 . 1 58 58 THR N N 15 116.06509 . . . . . . . . 341 T N . 52214 1 77 . 1 . 1 59 59 ARG H H 1 8.83264 . . . . . . . . 342 R H . 52214 1 78 . 1 . 1 59 59 ARG N N 15 130.21376 . . . . . . . . 342 R N . 52214 1 79 . 1 . 1 61 61 SER H H 1 9.30835 . . . . . . . . 344 S H . 52214 1 80 . 1 . 1 61 61 SER N N 15 120.19434 . . . . . . . . 344 S N . 52214 1 81 . 1 . 1 62 62 ASN H H 1 8.88368 . . . . . . . . 345 N H . 52214 1 82 . 1 . 1 62 62 ASN N N 15 118.85522 . . . . . . . . 345 N N . 52214 1 83 . 1 . 1 63 63 LEU H H 1 6.87933 . . . . . . . . 346 L H . 52214 1 84 . 1 . 1 63 63 LEU N N 15 120.16627 . . . . . . . . 346 L N . 52214 1 85 . 1 . 1 64 64 ALA H H 1 9.68307 . . . . . . . . 347 A H . 52214 1 86 . 1 . 1 64 64 ALA N N 15 133.20105 . . . . . . . . 347 A N . 52214 1 87 . 1 . 1 65 65 ASN H H 1 8.70647 . . . . . . . . 348 N H . 52214 1 88 . 1 . 1 65 65 ASN N N 15 116.38783 . . . . . . . . 348 N N . 52214 1 89 . 1 . 1 68 68 ILE H H 1 9.33910 . . . . . . . . 351 I H . 52214 1 90 . 1 . 1 68 68 ILE N N 15 128.95872 . . . . . . . . 351 I N . 52214 1 91 . 1 . 1 69 69 LEU H H 1 8.37181 . . . . . . . . 352 L H . 52214 1 92 . 1 . 1 69 69 LEU N N 15 126.84164 . . . . . . . . 352 L N . 52214 1 93 . 1 . 1 70 70 VAL H H 1 8.70413 . . . . . . . . 353 V H . 52214 1 94 . 1 . 1 70 70 VAL N N 15 117.01666 . . . . . . . . 353 V N . 52214 1 95 . 1 . 1 72 72 TRP H H 1 7.65570 . . . . . . . . 355 W H . 52214 1 96 . 1 . 1 72 72 TRP N N 15 117.29836 . . . . . . . . 355 W N . 52214 1 97 . 1 . 1 73 73 LEU H H 1 7.12064 . . . . . . . . 356 L H . 52214 1 98 . 1 . 1 73 73 LEU N N 15 119.80806 . . . . . . . . 356 L N . 52214 1 99 . 1 . 1 75 75 GLN H H 1 7.47064 . . . . . . . . 358 Q H . 52214 1 100 . 1 . 1 75 75 GLN N N 15 125.26653 . . . . . . . . 358 Q N . 52214 1 101 . 1 . 1 76 76 ASN H H 1 8.67000 . . . . . . . . 359 N H . 52214 1 102 . 1 . 1 76 76 ASN N N 15 117.11080 . . . . . . . . 359 N N . 52214 1 103 . 1 . 1 77 77 ASP H H 1 7.87431 . . . . . . . . 360 D H . 52214 1 104 . 1 . 1 77 77 ASP N N 15 118.75919 . . . . . . . . 360 D N . 52214 1 105 . 1 . 1 80 80 GLY H H 1 7.13251 . . . . . . . . 363 G H . 52214 1 106 . 1 . 1 80 80 GLY N N 15 103.76287 . . . . . . . . 363 G N . 52214 1 107 . 1 . 1 81 81 HIS H H 1 7.69505 . . . . . . . . 364 H H . 52214 1 108 . 1 . 1 81 81 HIS N N 15 125.60719 . . . . . . . . 364 H N . 52214 1 109 . 1 . 1 83 83 MET H H 1 10.93239 . . . . . . . . 366 M H . 52214 1 110 . 1 . 1 83 83 MET N N 15 118.44659 . . . . . . . . 366 M N . 52214 1 111 . 1 . 1 84 84 THR H H 1 8.16880 . . . . . . . . 367 T H . 52214 1 112 . 1 . 1 84 84 THR N N 15 120.82650 . . . . . . . . 367 T N . 52214 1 113 . 1 . 1 85 85 ARG H H 1 9.88113 . . . . . . . . 368 R H . 52214 1 114 . 1 . 1 85 85 ARG N N 15 125.26012 . . . . . . . . 368 R N . 52214 1 115 . 1 . 1 86 86 ALA H H 1 7.22080 . . . . . . . . 369 A H . 52214 1 116 . 1 . 1 86 86 ALA N N 15 112.16573 . . . . . . . . 369 A N . 52214 1 117 . 1 . 1 87 87 PHE H H 1 7.98889 . . . . . . . . 370 F H . 52214 1 118 . 1 . 1 87 87 PHE N N 15 122.09531 . . . . . . . . 370 F N . 52214 1 119 . 1 . 1 88 88 ILE H H 1 9.42622 . . . . . . . . 371 I H . 52214 1 120 . 1 . 1 88 88 ILE N N 15 128.23016 . . . . . . . . 371 I N . 52214 1 121 . 1 . 1 91 91 ALA H H 1 8.33825 . . . . . . . . 374 A H . 52214 1 122 . 1 . 1 91 91 ALA N N 15 113.26351 . . . . . . . . 374 A N . 52214 1 123 . 1 . 1 93 93 SER H H 1 8.95869 . . . . . . . . 376 S H . 52214 1 124 . 1 . 1 93 93 SER N N 15 117.94603 . . . . . . . . 376 S N . 52214 1 125 . 1 . 1 95 95 GLY H H 1 8.28025 . . . . . . . . 378 G H . 52214 1 126 . 1 . 1 95 95 GLY N N 15 108.40851 . . . . . . . . 378 G N . 52214 1 127 . 1 . 1 100 100 ILE H H 1 8.46508 . . . . . . . . 383 I H . 52214 1 128 . 1 . 1 100 100 ILE N N 15 118.95403 . . . . . . . . 383 I N . 52214 1 129 . 1 . 1 101 101 ALA H H 1 8.31998 . . . . . . . . 384 A H . 52214 1 130 . 1 . 1 101 101 ALA N N 15 121.52726 . . . . . . . . 384 A N . 52214 1 131 . 1 . 1 102 102 ASN H H 1 7.27278 . . . . . . . . 385 N H . 52214 1 132 . 1 . 1 102 102 ASN N N 15 111.02858 . . . . . . . . 385 N N . 52214 1 133 . 1 . 1 103 103 GLY H H 1 7.99023 . . . . . . . . 386 G H . 52214 1 134 . 1 . 1 103 103 GLY N N 15 111.94389 . . . . . . . . 386 G N . 52214 1 135 . 1 . 1 104 104 VAL H H 1 8.22062 . . . . . . . . 387 V H . 52214 1 136 . 1 . 1 104 104 VAL N N 15 121.98148 . . . . . . . . 387 V N . 52214 1 137 . 1 . 1 106 106 MET H H 1 7.32202 . . . . . . . . 389 M H . 52214 1 138 . 1 . 1 106 106 MET N N 15 113.88522 . . . . . . . . 389 M N . 52214 1 139 . 1 . 1 108 108 MET H H 1 9.10181 . . . . . . . . 391 M H . 52214 1 140 . 1 . 1 108 108 MET N N 15 125.28026 . . . . . . . . 391 M N . 52214 1 141 . 1 . 1 109 109 MET H H 1 9.16292 . . . . . . . . 392 M H . 52214 1 142 . 1 . 1 109 109 MET N N 15 121.95763 . . . . . . . . 392 M N . 52214 1 143 . 1 . 1 114 114 ASP H H 1 8.95690 . . . . . . . . 397 D H . 52214 1 144 . 1 . 1 114 114 ASP N N 15 123.31285 . . . . . . . . 397 D N . 52214 1 145 . 1 . 1 115 115 GLN H H 1 7.58809 . . . . . . . . 398 Q H . 52214 1 146 . 1 . 1 115 115 GLN N N 15 119.80875 . . . . . . . . 398 Q N . 52214 1 147 . 1 . 1 117 117 ASP H H 1 7.89966 . . . . . . . . 400 D H . 52214 1 148 . 1 . 1 117 117 ASP N N 15 120.43146 . . . . . . . . 400 D N . 52214 1 149 . 1 . 1 118 118 ASN H H 1 8.20768 . . . . . . . . 401 N H . 52214 1 150 . 1 . 1 118 118 ASN N N 15 119.55408 . . . . . . . . 401 N N . 52214 1 151 . 1 . 1 119 119 ALA H H 1 8.61726 . . . . . . . . 402 A H . 52214 1 152 . 1 . 1 119 119 ALA N N 15 122.32281 . . . . . . . . 402 A N . 52214 1 153 . 1 . 1 123 123 GLU H H 1 9.02124 . . . . . . . . 406 E H . 52214 1 154 . 1 . 1 123 123 GLU N N 15 122.65533 . . . . . . . . 406 E N . 52214 1 155 . 1 . 1 124 124 THR H H 1 8.38643 . . . . . . . . 407 T H . 52214 1 156 . 1 . 1 124 124 THR N N 15 117.60840 . . . . . . . . 407 T N . 52214 1 157 . 1 . 1 125 125 LYS H H 1 7.40694 . . . . . . . . 408 K H . 52214 1 158 . 1 . 1 125 125 LYS N N 15 118.26665 . . . . . . . . 408 K N . 52214 1 159 . 1 . 1 126 126 GLY H H 1 7.89997 . . . . . . . . 409 G H . 52214 1 160 . 1 . 1 126 126 GLY N N 15 107.51359 . . . . . . . . 409 G N . 52214 1 161 . 1 . 1 128 128 GLY H H 1 7.24177 . . . . . . . . 411 G H . 52214 1 162 . 1 . 1 128 128 GLY N N 15 104.61231 . . . . . . . . 411 G N . 52214 1 163 . 1 . 1 129 129 VAL H H 1 7.77698 . . . . . . . . 412 V H . 52214 1 164 . 1 . 1 129 129 VAL N N 15 116.74124 . . . . . . . . 412 V N . 52214 1 165 . 1 . 1 130 130 THR H H 1 8.52153 . . . . . . . . 413 T H . 52214 1 166 . 1 . 1 130 130 THR N N 15 123.68288 . . . . . . . . 413 T N . 52214 1 167 . 1 . 1 131 131 LEU H H 1 9.06320 . . . . . . . . 414 L H . 52214 1 168 . 1 . 1 131 131 LEU N N 15 126.74957 . . . . . . . . 414 L N . 52214 1 169 . 1 . 1 132 132 ASN H H 1 8.70477 . . . . . . . . 415 N H . 52214 1 170 . 1 . 1 132 132 ASN N N 15 119.78720 . . . . . . . . 415 N N . 52214 1 171 . 1 . 1 133 133 VAL H H 1 8.94859 . . . . . . . . 416 V H . 52214 1 172 . 1 . 1 133 133 VAL N N 15 124.24137 . . . . . . . . 416 V N . 52214 1 173 . 1 . 1 135 135 GLU H H 1 7.15144 . . . . . . . . 418 E H . 52214 1 174 . 1 . 1 135 135 GLU N N 15 115.91571 . . . . . . . . 418 E N . 52214 1 175 . 1 . 1 136 136 MET H H 1 7.83275 . . . . . . . . 419 M H . 52214 1 176 . 1 . 1 136 136 MET N N 15 119.55921 . . . . . . . . 419 M N . 52214 1 177 . 1 . 1 137 137 THR H H 1 8.92023 . . . . . . . . 420 T H . 52214 1 178 . 1 . 1 137 137 THR N N 15 114.72531 . . . . . . . . 420 T N . 52214 1 179 . 1 . 1 138 138 SER H H 1 9.07961 . . . . . . . . 421 S H . 52214 1 180 . 1 . 1 138 138 SER N N 15 114.54611 . . . . . . . . 421 S N . 52214 1 181 . 1 . 1 139 139 GLU H H 1 8.59475 . . . . . . . . 422 E H . 52214 1 182 . 1 . 1 139 139 GLU N N 15 119.14960 . . . . . . . . 422 E N . 52214 1 183 . 1 . 1 140 140 ASP H H 1 7.66334 . . . . . . . . 423 D H . 52214 1 184 . 1 . 1 140 140 ASP N N 15 117.95462 . . . . . . . . 423 D N . 52214 1 185 . 1 . 1 141 141 LEU H H 1 7.39404 . . . . . . . . 424 L H . 52214 1 186 . 1 . 1 141 141 LEU N N 15 120.47393 . . . . . . . . 424 L N . 52214 1 187 . 1 . 1 142 142 GLU H H 1 8.89067 . . . . . . . . 425 E H . 52214 1 188 . 1 . 1 142 142 GLU N N 15 121.74014 . . . . . . . . 425 E N . 52214 1 189 . 1 . 1 143 143 ASN H H 1 8.58686 . . . . . . . . 426 N H . 52214 1 190 . 1 . 1 143 143 ASN N N 15 115.27846 . . . . . . . . 426 N N . 52214 1 191 . 1 . 1 144 144 ALA H H 1 7.74218 . . . . . . . . 427 A H . 52214 1 192 . 1 . 1 144 144 ALA N N 15 123.80846 . . . . . . . . 427 A N . 52214 1 193 . 1 . 1 146 146 LYS H H 1 8.19044 . . . . . . . . 429 K H . 52214 1 194 . 1 . 1 146 146 LYS N N 15 115.81230 . . . . . . . . 429 K N . 52214 1 195 . 1 . 1 147 147 ALA H H 1 7.71955 . . . . . . . . 430 A H . 52214 1 196 . 1 . 1 147 147 ALA N N 15 121.40682 . . . . . . . . 430 A N . 52214 1 197 . 1 . 1 148 148 VAL H H 1 7.59969 . . . . . . . . 431 V H . 52214 1 198 . 1 . 1 148 148 VAL N N 15 110.01867 . . . . . . . . 431 V N . 52214 1 199 . 1 . 1 149 149 ILE H H 1 7.86403 . . . . . . . . 432 I H . 52214 1 200 . 1 . 1 149 149 ILE N N 15 116.42606 . . . . . . . . 432 I N . 52214 1 201 . 1 . 1 150 150 ASN H H 1 7.78472 . . . . . . . . 433 N H . 52214 1 202 . 1 . 1 150 150 ASN N N 15 114.09766 . . . . . . . . 433 N N . 52214 1 203 . 1 . 1 151 151 ASP H H 1 8.52463 . . . . . . . . 434 D H . 52214 1 204 . 1 . 1 151 151 ASP N N 15 121.93180 . . . . . . . . 434 D N . 52214 1 205 . 1 . 1 152 152 LYS H H 1 8.87130 . . . . . . . . 435 K H . 52214 1 206 . 1 . 1 152 152 LYS N N 15 126.67010 . . . . . . . . 435 K N . 52214 1 207 . 1 . 1 153 153 SER H H 1 8.66622 . . . . . . . . 436 S H . 52214 1 208 . 1 . 1 153 153 SER N N 15 115.89113 . . . . . . . . 436 S N . 52214 1 209 . 1 . 1 154 154 TYR H H 1 7.02018 . . . . . . . . 437 Y H . 52214 1 210 . 1 . 1 154 154 TYR N N 15 119.81037 . . . . . . . . 437 Y N . 52214 1 211 . 1 . 1 155 155 LYS H H 1 8.09114 . . . . . . . . 438 K H . 52214 1 212 . 1 . 1 155 155 LYS N N 15 120.55157 . . . . . . . . 438 K N . 52214 1 213 . 1 . 1 156 156 GLU H H 1 8.22321 . . . . . . . . 439 E H . 52214 1 214 . 1 . 1 156 156 GLU N N 15 117.76428 . . . . . . . . 439 E N . 52214 1 215 . 1 . 1 157 157 ASN H H 1 8.71566 . . . . . . . . 440 N H . 52214 1 216 . 1 . 1 157 157 ASN N N 15 117.77114 . . . . . . . . 440 N N . 52214 1 217 . 1 . 1 158 158 ILE H H 1 8.57063 . . . . . . . . 441 I H . 52214 1 218 . 1 . 1 158 158 ILE N N 15 121.54723 . . . . . . . . 441 I N . 52214 1 219 . 1 . 1 159 159 MET H H 1 8.31608 . . . . . . . . 442 M H . 52214 1 220 . 1 . 1 159 159 MET N N 15 122.79292 . . . . . . . . 442 M N . 52214 1 221 . 1 . 1 160 160 ARG H H 1 7.63797 . . . . . . . . 443 R H . 52214 1 222 . 1 . 1 160 160 ARG N N 15 119.00071 . . . . . . . . 443 R N . 52214 1 223 . 1 . 1 161 161 LEU H H 1 7.53160 . . . . . . . . 444 L H . 52214 1 224 . 1 . 1 161 161 LEU N N 15 118.42549 . . . . . . . . 444 L N . 52214 1 225 . 1 . 1 162 162 SER H H 1 8.05271 . . . . . . . . 445 S H . 52214 1 226 . 1 . 1 162 162 SER N N 15 114.19133 . . . . . . . . 445 S N . 52214 1 227 . 1 . 1 163 163 SER H H 1 7.93120 . . . . . . . . 446 S H . 52214 1 228 . 1 . 1 163 163 SER N N 15 115.65907 . . . . . . . . 446 S N . 52214 1 229 . 1 . 1 164 164 LEU H H 1 7.79099 . . . . . . . . 447 L H . 52214 1 230 . 1 . 1 164 164 LEU N N 15 122.17229 . . . . . . . . 447 L N . 52214 1 231 . 1 . 1 165 165 HIS H H 1 8.03118 . . . . . . . . 448 H H . 52214 1 232 . 1 . 1 165 165 HIS N N 15 119.38866 . . . . . . . . 448 H N . 52214 1 233 . 1 . 1 166 166 LYS H H 1 7.98771 . . . . . . . . 449 K H . 52214 1 234 . 1 . 1 166 166 LYS N N 15 123.28236 . . . . . . . . 449 K N . 52214 1 235 . 1 . 1 167 167 ASP H H 1 7.98292 . . . . . . . . 450 D H . 52214 1 236 . 1 . 1 167 167 ASP N N 15 127.29616 . . . . . . . . 450 D N . 52214 1 stop_ save_