################################### # 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 51613 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name BMRB.txt _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.01 _Assigned_chem_shift_list.Chem_shift_15N_err 0.01 _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' . . . 51613 1 2 '2D 1H-15N TROSY' . . . 51613 1 3 '3D HNCACB' . . . 51613 1 4 '3D HN(CO)CACB' . . . 51613 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 2 $software_2 . . 51613 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 1 1 THR CA C 13 61.899 . . . . . . . . 304 T CA . 51613 1 2 . 1 . 1 1 1 THR CB C 13 69.583 . . . . . . . . 304 T CB . 51613 1 3 . 1 . 1 2 2 LYS H H 1 8.256 . . . . . . . . 305 K HN . 51613 1 4 . 1 . 1 2 2 LYS CA C 13 56.026 . . . . . . . . 305 K CA . 51613 1 5 . 1 . 1 2 2 LYS CB C 13 32.654 . . . . . . . . 305 K CB . 51613 1 6 . 1 . 1 2 2 LYS N N 15 124.874 . . . . . . . . 305 K N . 51613 1 7 . 1 . 1 3 3 ARG CA C 13 55.566 . . . . . . . . 306 R CA . 51613 1 8 . 1 . 1 3 3 ARG CB C 13 30.207 . . . . . . . . 306 R CB . 51613 1 9 . 1 . 1 4 4 ALA H H 1 8.229 . . . . . . . . 307 A HN . 51613 1 10 . 1 . 1 4 4 ALA CA C 13 51.765 . . . . . . . . 307 A CA . 51613 1 11 . 1 . 1 4 4 ALA CB C 13 18.644 . . . . . . . . 307 A CB . 51613 1 12 . 1 . 1 4 4 ALA N N 15 126.451 . . . . . . . . 307 A N . 51613 1 13 . 1 . 1 5 5 LEU H H 1 8.152 . . . . . . . . 308 L HN . 51613 1 14 . 1 . 1 5 5 LEU CA C 13 52.670 . . . . . . . . 308 L CA . 51613 1 15 . 1 . 1 5 5 LEU CB C 13 40.749 . . . . . . . . 308 L CB . 51613 1 16 . 1 . 1 5 5 LEU N N 15 123.670 . . . . . . . . 308 L N . 51613 1 17 . 1 . 1 6 6 PRO CA C 13 62.899 . . . . . . . . 309 P CA . 51613 1 18 . 1 . 1 6 6 PRO CB C 13 31.227 . . . . . . . . 309 P CB . 51613 1 19 . 1 . 1 7 7 ASN H H 1 8.371 . . . . . . . . 310 N HN . 51613 1 20 . 1 . 1 7 7 ASN CA C 13 52.895 . . . . . . . . 310 N CA . 51613 1 21 . 1 . 1 7 7 ASN CB C 13 38.481 . . . . . . . . 310 N CB . 51613 1 22 . 1 . 1 7 7 ASN N N 15 118.993 . . . . . . . . 310 N N . 51613 1 23 . 1 . 1 8 8 ASN CA C 13 53.109 . . . . . . . . 311 N CA . 51613 1 24 . 1 . 1 8 8 ASN CB C 13 38.104 . . . . . . . . 311 N CB . 51613 1 25 . 1 . 1 9 9 THR H H 1 8.072 . . . . . . . . 312 T HN . 51613 1 26 . 1 . 1 9 9 THR CA C 13 61.876 . . . . . . . . 312 T CA . 51613 1 27 . 1 . 1 9 9 THR CB C 13 69.379 . . . . . . . . 312 T CB . 51613 1 28 . 1 . 1 9 9 THR N N 15 114.575 . . . . . . . . 312 T N . 51613 1 29 . 1 . 1 13 13 PRO CA C 13 62.839 . . . . . . . . 316 P CA . 51613 1 30 . 1 . 1 13 13 PRO CB C 13 31.378 . . . . . . . . 316 P CB . 51613 1 31 . 1 . 1 14 14 GLN H H 1 8.329 . . . . . . . . 317 Q HN . 51613 1 32 . 1 . 1 14 14 GLN CA C 13 53.182 . . . . . . . . 317 Q CA . 51613 1 33 . 1 . 1 14 14 GLN CB C 13 28.328 . . . . . . . . 317 Q CB . 51613 1 34 . 1 . 1 14 14 GLN N N 15 122.191 . . . . . . . . 317 Q N . 51613 1 35 . 1 . 1 15 15 PRO CA C 13 62.704 . . . . . . . . 318 P CA . 51613 1 36 . 1 . 1 15 15 PRO CB C 13 31.459 . . . . . . . . 318 P CB . 51613 1 37 . 1 . 1 16 16 LYS H H 1 8.285 . . . . . . . . 319 K HN . 51613 1 38 . 1 . 1 16 16 LYS CA C 13 55.871 . . . . . . . . 319 K CA . 51613 1 39 . 1 . 1 16 16 LYS CB C 13 32.354 . . . . . . . . 319 K CB . 51613 1 40 . 1 . 1 16 16 LYS N N 15 122.311 . . . . . . . . 319 K N . 51613 1 41 . 1 . 1 17 17 LYS H H 1 8.194 . . . . . . . . 320 K HN . 51613 1 42 . 1 . 1 17 17 LYS CA C 13 55.732 . . . . . . . . 320 K CA . 51613 1 43 . 1 . 1 17 17 LYS CB C 13 32.397 . . . . . . . . 320 K CB . 51613 1 44 . 1 . 1 17 17 LYS N N 15 123.421 . . . . . . . . 320 K N . 51613 1 45 . 1 . 1 18 18 LYS H H 1 8.296 . . . . . . . . 321 K HN . 51613 1 46 . 1 . 1 18 18 LYS CA C 13 54.011 . . . . . . . . 321 K CA . 51613 1 47 . 1 . 1 18 18 LYS CB C 13 31.755 . . . . . . . . 321 K CB . 51613 1 48 . 1 . 1 18 18 LYS N N 15 125.208 . . . . . . . . 321 K N . 51613 1 49 . 1 . 1 19 19 PRO CA C 13 62.657 . . . . . . . . 322 P CA . 51613 1 50 . 1 . 1 19 19 PRO CB C 13 31.223 . . . . . . . . 322 P CB . 51613 1 51 . 1 . 1 20 20 LEU H H 1 8.237 . . . . . . . . 323 L HN . 51613 1 52 . 1 . 1 20 20 LEU CA C 13 54.975 . . . . . . . . 323 L CA . 51613 1 53 . 1 . 1 20 20 LEU CB C 13 41.308 . . . . . . . . 323 L CB . 51613 1 54 . 1 . 1 20 20 LEU N N 15 122.390 . . . . . . . . 323 L N . 51613 1 55 . 1 . 1 21 21 ASP H H 1 8.166 . . . . . . . . 324 D HN . 51613 1 56 . 1 . 1 21 21 ASP CA C 13 54.121 . . . . . . . . 324 D CA . 51613 1 57 . 1 . 1 21 21 ASP CB C 13 40.970 . . . . . . . . 324 D CB . 51613 1 58 . 1 . 1 21 21 ASP N N 15 121.440 . . . . . . . . 324 D N . 51613 1 59 . 1 . 1 22 22 GLY H H 1 8.082 . . . . . . . . 325 G HN . 51613 1 60 . 1 . 1 22 22 GLY CA C 13 44.679 . . . . . . . . 325 G CA . 51613 1 61 . 1 . 1 22 22 GLY N N 15 109.155 . . . . . . . . 325 G N . 51613 1 62 . 1 . 1 23 23 GLU H H 1 7.915 . . . . . . . . 326 E HN . 51613 1 63 . 1 . 1 23 23 GLU CA C 13 55.763 . . . . . . . . 326 E CA . 51613 1 64 . 1 . 1 23 23 GLU CB C 13 30.324 . . . . . . . . 326 E CB . 51613 1 65 . 1 . 1 23 23 GLU N N 15 120.878 . . . . . . . . 326 E N . 51613 1 66 . 1 . 1 52 52 ALA H H 1 7.745 . . . . . . . . 355 A HN . 51613 1 67 . 1 . 1 52 52 ALA CA C 13 52.940 . . . . . . . . 355 A CA . 51613 1 68 . 1 . 1 52 52 ALA CB C 13 18.293 . . . . . . . . 355 A CB . 51613 1 69 . 1 . 1 52 52 ALA N N 15 122.885 . . . . . . . . 355 A N . 51613 1 70 . 1 . 1 53 53 GLY H H 1 8.066 . . . . . . . . 356 G HN . 51613 1 71 . 1 . 1 53 53 GLY CA C 13 45.101 . . . . . . . . 356 G CA . 51613 1 72 . 1 . 1 53 53 GLY N N 15 107.543 . . . . . . . . 356 G N . 51613 1 73 . 1 . 1 54 54 LYS H H 1 7.826 . . . . . . . . 357 K HN . 51613 1 74 . 1 . 1 54 54 LYS CA C 13 55.706 . . . . . . . . 357 K CA . 51613 1 75 . 1 . 1 54 54 LYS CB C 13 32.292 . . . . . . . . 357 K CB . 51613 1 76 . 1 . 1 54 54 LYS N N 15 120.461 . . . . . . . . 357 K N . 51613 1 77 . 1 . 1 55 55 GLU H H 1 8.305 . . . . . . . . 358 E HN . 51613 1 78 . 1 . 1 55 55 GLU CA C 13 54.262 . . . . . . . . 358 E CA . 51613 1 79 . 1 . 1 55 55 GLU CB C 13 28.884 . . . . . . . . 358 E CB . 51613 1 80 . 1 . 1 55 55 GLU N N 15 123.364 . . . . . . . . 358 E N . 51613 1 81 . 1 . 1 56 56 PRO CA C 13 63.478 . . . . . . . . 359 P CA . 51613 1 82 . 1 . 1 56 56 PRO CB C 13 31.191 . . . . . . . . 359 P CB . 51613 1 83 . 1 . 1 57 57 GLY H H 1 8.448 . . . . . . . . 360 G HN . 51613 1 84 . 1 . 1 57 57 GLY CA C 13 45.101 . . . . . . . . 360 G CA . 51613 1 85 . 1 . 1 57 57 GLY N N 15 109.814 . . . . . . . . 360 G N . 51613 1 86 . 1 . 1 58 58 GLY H H 1 8.163 . . . . . . . . 361 G HN . 51613 1 87 . 1 . 1 58 58 GLY CA C 13 45.016 . . . . . . . . 361 G CA . 51613 1 88 . 1 . 1 58 58 GLY N N 15 109.195 . . . . . . . . 361 G N . 51613 1 89 . 1 . 1 60 60 ARG CA C 13 55.827 . . . . . . . . 363 R CA . 51613 1 90 . 1 . 1 60 60 ARG CB C 13 29.780 . . . . . . . . 363 R CB . 51613 1 91 . 1 . 1 61 61 ALA H H 1 8.083 . . . . . . . . 364 A HN . 51613 1 92 . 1 . 1 61 61 ALA CA C 13 52.431 . . . . . . . . 364 A CA . 51613 1 93 . 1 . 1 61 61 ALA CB C 13 18.539 . . . . . . . . 364 A CB . 51613 1 94 . 1 . 1 61 61 ALA N N 15 124.729 . . . . . . . . 364 A N . 51613 1 95 . 1 . 1 63 63 SER CA C 13 58.251 . . . . . . . . 366 S CA . 51613 1 96 . 1 . 1 63 63 SER CB C 13 64.066 . . . . . . . . 366 S CB . 51613 1 97 . 1 . 1 64 64 SER H H 1 8.145 . . . . . . . . 367 S HN . 51613 1 98 . 1 . 1 64 64 SER CA C 13 56.565 . . . . . . . . 367 S CA . 51613 1 99 . 1 . 1 64 64 SER CB C 13 63.393 . . . . . . . . 367 S CB . 51613 1 100 . 1 . 1 64 64 SER N N 15 119.237 . . . . . . . . 367 S N . 51613 1 101 . 1 . 1 65 65 HIS CA C 13 56.642 . . . . . . . . 368 H CA . 51613 1 102 . 1 . 1 65 65 HIS CB C 13 29.997 . . . . . . . . 368 H CB . 51613 1 103 . 1 . 1 66 66 LEU H H 1 7.809 . . . . . . . . 369 L HN . 51613 1 104 . 1 . 1 66 66 LEU CA C 13 55.226 . . . . . . . . 369 L CA . 51613 1 105 . 1 . 1 66 66 LEU CB C 13 41.251 . . . . . . . . 369 L CB . 51613 1 106 . 1 . 1 66 66 LEU N N 15 122.675 . . . . . . . . 369 L N . 51613 1 107 . 1 . 1 67 67 LYS H H 1 8.087 . . . . . . . . 370 K HN . 51613 1 108 . 1 . 1 67 67 LYS CA C 13 56.144 . . . . . . . . 370 K CA . 51613 1 109 . 1 . 1 67 67 LYS CB C 13 32.118 . . . . . . . . 370 K CB . 51613 1 110 . 1 . 1 67 67 LYS N N 15 121.923 . . . . . . . . 370 K N . 51613 1 111 . 1 . 1 68 68 SER H H 1 8.058 . . . . . . . . 371 S HN . 51613 1 112 . 1 . 1 68 68 SER CA C 13 58.164 . . . . . . . . 371 S CA . 51613 1 113 . 1 . 1 68 68 SER CB C 13 63.809 . . . . . . . . 371 S CB . 51613 1 114 . 1 . 1 68 68 SER N N 15 116.802 . . . . . . . . 371 S N . 51613 1 115 . 1 . 1 70 70 LYS H H 1 8.194 . . . . . . . . 373 K HN . 51613 1 116 . 1 . 1 70 70 LYS CA C 13 56.479 . . . . . . . . 373 K CA . 51613 1 117 . 1 . 1 70 70 LYS CB C 13 32.157 . . . . . . . . 373 K CB . 51613 1 118 . 1 . 1 70 70 LYS N N 15 122.820 . . . . . . . . 373 K N . 51613 1 119 . 1 . 1 71 71 GLY H H 1 8.332 . . . . . . . . 374 G HN . 51613 1 120 . 1 . 1 71 71 GLY CA C 13 45.101 . . . . . . . . 374 G CA . 51613 1 121 . 1 . 1 71 71 GLY N N 15 110.697 . . . . . . . . 374 G N . 51613 1 122 . 1 . 1 72 72 GLN H H 1 8.104 . . . . . . . . 375 Q HN . 51613 1 123 . 1 . 1 72 72 GLN CA C 13 55.457 . . . . . . . . 375 Q CA . 51613 1 124 . 1 . 1 72 72 GLN CB C 13 28.975 . . . . . . . . 375 Q CB . 51613 1 125 . 1 . 1 72 72 GLN N N 15 120.173 . . . . . . . . 375 Q N . 51613 1 126 . 1 . 1 74 74 THR H H 1 8.228 . . . . . . . . 377 T HN . 51613 1 127 . 1 . 1 74 74 THR CA C 13 58.251 . . . . . . . . 377 T CA . 51613 1 128 . 1 . 1 74 74 THR N N 15 118.276 . . . . . . . . 377 T N . 51613 1 129 . 1 . 1 77 77 HIS H H 1 8.050 . . . . . . . . 380 H HN . 51613 1 130 . 1 . 1 77 77 HIS CA C 13 56.397 . . . . . . . . 380 H CA . 51613 1 131 . 1 . 1 77 77 HIS CB C 13 30.432 . . . . . . . . 380 H CB . 51613 1 132 . 1 . 1 77 77 HIS N N 15 120.510 . . . . . . . . 380 H N . 51613 1 133 . 1 . 1 78 78 LYS H H 1 8.024 . . . . . . . . 381 K HN . 51613 1 134 . 1 . 1 78 78 LYS CA C 13 56.401 . . . . . . . . 381 K CA . 51613 1 135 . 1 . 1 78 78 LYS N N 15 122.889 . . . . . . . . 381 K N . 51613 1 136 . 1 . 1 79 79 LYS H H 1 8.221 . . . . . . . . 382 K HN . 51613 1 137 . 1 . 1 79 79 LYS CA C 13 56.354 . . . . . . . . 382 K CA . 51613 1 138 . 1 . 1 79 79 LYS CB C 13 32.359 . . . . . . . . 382 K CB . 51613 1 139 . 1 . 1 79 79 LYS N N 15 122.821 . . . . . . . . 382 K N . 51613 1 140 . 1 . 1 80 80 LEU H H 1 8.088 . . . . . . . . 383 L HN . 51613 1 141 . 1 . 1 80 80 LEU CA C 13 54.913 . . . . . . . . 383 L CA . 51613 1 142 . 1 . 1 80 80 LEU CB C 13 41.333 . . . . . . . . 383 L CB . 51613 1 143 . 1 . 1 80 80 LEU N N 15 123.580 . . . . . . . . 383 L N . 51613 1 144 . 1 . 1 81 81 MET H H 1 8.078 . . . . . . . . 384 M HN . 51613 1 145 . 1 . 1 81 81 MET CA C 13 55.084 . . . . . . . . 384 M CA . 51613 1 146 . 1 . 1 81 81 MET CB C 13 32.331 . . . . . . . . 384 M CB . 51613 1 147 . 1 . 1 81 81 MET N N 15 121.015 . . . . . . . . 384 M N . 51613 1 148 . 1 . 1 82 82 PHE H H 1 7.987 . . . . . . . . 385 F HN . 51613 1 149 . 1 . 1 82 82 PHE CA C 13 57.165 . . . . . . . . 385 F CA . 51613 1 150 . 1 . 1 82 82 PHE CB C 13 39.633 . . . . . . . . 385 F CB . 51613 1 151 . 1 . 1 82 82 PHE N N 15 120.979 . . . . . . . . 385 F N . 51613 1 152 . 1 . 1 83 83 LYS H H 1 8.127 . . . . . . . . 386 K HN . 51613 1 153 . 1 . 1 83 83 LYS CA C 13 55.926 . . . . . . . . 386 K CA . 51613 1 154 . 1 . 1 83 83 LYS CB C 13 32.456 . . . . . . . . 386 K CB . 51613 1 155 . 1 . 1 83 83 LYS N N 15 123.212 . . . . . . . . 386 K N . 51613 1 156 . 1 . 1 84 84 THR H H 1 8.102 . . . . . . . . 387 T HN . 51613 1 157 . 1 . 1 84 84 THR CA C 13 61.701 . . . . . . . . 387 T CA . 51613 1 158 . 1 . 1 84 84 THR CB C 13 69.591 . . . . . . . . 387 T CB . 51613 1 159 . 1 . 1 84 84 THR N N 15 116.232 . . . . . . . . 387 T N . 51613 1 160 . 1 . 1 85 85 GLU H H 1 8.339 . . . . . . . . 388 E HN . 51613 1 161 . 1 . 1 85 85 GLU CA C 13 56.060 . . . . . . . . 388 E CA . 51613 1 162 . 1 . 1 85 85 GLU CB C 13 29.866 . . . . . . . . 388 E CB . 51613 1 163 . 1 . 1 85 85 GLU N N 15 123.119 . . . . . . . . 388 E N . 51613 1 164 . 1 . 1 86 86 GLY H H 1 8.143 . . . . . . . . 389 G HN . 51613 1 165 . 1 . 1 86 86 GLY CA C 13 44.258 . . . . . . . . 389 G CA . 51613 1 166 . 1 . 1 86 86 GLY N N 15 110.345 . . . . . . . . 389 G N . 51613 1 167 . 1 . 1 87 87 PRO CA C 13 62.976 . . . . . . . . 390 P CA . 51613 1 168 . 1 . 1 87 87 PRO CB C 13 31.449 . . . . . . . . 390 P CB . 51613 1 169 . 1 . 1 88 88 ASP H H 1 8.329 . . . . . . . . 391 D HN . 51613 1 170 . 1 . 1 88 88 ASP CA C 13 54.245 . . . . . . . . 391 D CA . 51613 1 171 . 1 . 1 88 88 ASP CB C 13 40.797 . . . . . . . . 391 D CB . 51613 1 172 . 1 . 1 88 88 ASP N N 15 120.424 . . . . . . . . 391 D N . 51613 1 173 . 1 . 1 89 89 SER H H 1 7.985 . . . . . . . . 392 S HN . 51613 1 174 . 1 . 1 89 89 SER CA C 13 58.020 . . . . . . . . 392 S CA . 51613 1 175 . 1 . 1 89 89 SER CB C 13 64.373 . . . . . . . . 392 S CB . 51613 1 176 . 1 . 1 89 89 SER N N 15 115.979 . . . . . . . . 392 S N . 51613 1 177 . 1 . 1 90 90 ASP H H 1 7.931 . . . . . . . . 393 D HN . 51613 1 178 . 1 . 1 90 90 ASP CA C 13 55.743 . . . . . . . . 393 D CA . 51613 1 179 . 1 . 1 90 90 ASP CB C 13 41.981 . . . . . . . . 393 D CB . 51613 1 180 . 1 . 1 90 90 ASP N N 15 128.079 . . . . . . . . 393 D N . 51613 1 stop_ save_