################################### # 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 50351 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Chemical shift list' _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _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 HSQC[13C]-Aromaten . . . 50351 1 2 HCCNH[13C] . . . 50351 1 3 '2D DARR' . . . 50351 1 4 HSQC[15N]-Amino . . . 50351 1 5 '3D 1H-13C NOESY aromatic' . . . 50351 1 6 TROSY[15N] . . . 50351 1 7 1H-JR[15N] . . . 50351 1 8 HSQC[15N]-2J . . . 50351 1 9 '2D 1H-13C HSQC aliphatic' . . . 50351 1 10 1H-ES . . . 50351 1 11 NOESY[15N]CPMG . . . 50351 1 12 NOESY[15N]-Imino . . . 50351 1 13 HNN-COSY[15N] . . . 50351 1 14 '2D 1H-13C HSQC aromatic' . . . 50351 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 . . 50351 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 G H1' H 1 5.8225 . . 1 . . . . . -2 G H1' . 50351 1 2 . 1 . 1 1 1 G H8 H 1 8.13033 . . 1 . . . . . -2 G H8 . 50351 1 3 . 1 . 1 1 1 G C8 C 13 139.005 . . 1 . . . . . -2 G C8 . 50351 1 4 . 1 . 1 1 1 G N9 N 15 168.507 . . 1 . . . . . -2 G N9 . 50351 1 5 . 1 . 1 2 2 G H1 H 1 13.2962 . . 1 . . . . . -1 G H1 . 50351 1 6 . 1 . 1 2 2 G H1' H 1 5.91067 . . 1 . . . . . -1 G H1' . 50351 1 7 . 1 . 1 2 2 G H8 H 1 7.61175 . . 1 . . . . . -1 G H8 . 50351 1 8 . 1 . 1 2 2 G C1' C 13 92.998 . . 1 . . . . . -1 G C1' . 50351 1 9 . 1 . 1 2 2 G C8 C 13 136.812 . . 1 . . . . . -1 G C8 . 50351 1 10 . 1 . 1 2 2 G N1 N 15 148.439 . . 1 . . . . . -1 G N1 . 50351 1 11 . 1 . 1 2 2 G N9 N 15 169.31 . . 1 . . . . . -1 G N9 . 50351 1 12 . 1 . 1 3 3 C H1' H 1 5.53275 . . 1 . . . . . 302 C H1' . 50351 1 13 . 1 . 1 3 3 C H5 H 1 5.288 . . 1 . . . . . 302 C H5 . 50351 1 14 . 1 . 1 3 3 C H6 H 1 7.69967 . . 1 . . . . . 302 C H6 . 50351 1 15 . 1 . 1 3 3 C H41 H 1 8.52025 . . 1 . . . . . 302 C H41 . 50351 1 16 . 1 . 1 3 3 C H42 H 1 6.84867 . . 1 . . . . . 302 C H42 . 50351 1 17 . 1 . 1 3 3 C N3 N 15 197.129 . . 1 . . . . . 302 C N3 . 50351 1 18 . 1 . 1 3 3 C N4 N 15 98.1474 . . 1 . . . . . 302 C N4 . 50351 1 19 . 1 . 1 4 4 A H1' H 1 5.95875 . . 1 . . . . . 303 A H1' . 50351 1 20 . 1 . 1 4 4 A H2 H 1 7.34911 . . 1 . . . . . 303 A H2 . 50351 1 21 . 1 . 1 4 4 A H8 H 1 8.028 . . 1 . . . . . 303 A H8 . 50351 1 22 . 1 . 1 4 4 A N1 N 15 222.396 . . 1 . . . . . 303 A N1 . 50351 1 23 . 1 . 1 4 4 A N3 N 15 213.339 . . 1 . . . . . 303 A N3 . 50351 1 24 . 1 . 1 5 5 C H1' H 1 5.39533 . . 1 . . . . . 304 C H1' . 50351 1 25 . 1 . 1 5 5 C H5 H 1 5.2034 . . 1 . . . . . 304 C H5 . 50351 1 26 . 1 . 1 5 5 C H6 H 1 7.44989 . . 1 . . . . . 304 C H6 . 50351 1 27 . 1 . 1 5 5 C H41 H 1 8.26167 . . 1 . . . . . 304 C H41 . 50351 1 28 . 1 . 1 5 5 C H42 H 1 6.86067 . . 1 . . . . . 304 C H42 . 50351 1 29 . 1 . 1 5 5 C N3 N 15 197.536 . . 1 . . . . . 304 C N3 . 50351 1 30 . 1 . 1 5 5 C N4 N 15 97.8876 . . 1 . . . . . 304 C N4 . 50351 1 31 . 1 . 1 6 6 G H1 H 1 12.9881 . . 1 . . . . . 305 G H1 . 50351 1 32 . 1 . 1 6 6 G H1' H 1 5.71575 . . 1 . . . . . 305 G H1' . 50351 1 33 . 1 . 1 6 6 G H8 H 1 7.5438 . . 1 . . . . . 305 G H8 . 50351 1 34 . 1 . 1 6 6 G C1' C 13 93.142 . . 1 . . . . . 305 G C1' . 50351 1 35 . 1 . 1 6 6 G C8 C 13 136.248 . . 1 . . . . . 305 G C8 . 50351 1 36 . 1 . 1 6 6 G N1 N 15 147.554 . . 1 . . . . . 305 G N1 . 50351 1 37 . 1 . 1 6 6 G N9 N 15 168.887 . . 1 . . . . . 305 G N9 . 50351 1 38 . 1 . 1 7 7 U H1' H 1 5.5505 . . 1 . . . . . 306 U H1' . 50351 1 39 . 1 . 1 7 7 U H3 H 1 14.336 . . 1 . . . . . 306 U H3 . 50351 1 40 . 1 . 1 7 7 U H5 H 1 5.041 . . 1 . . . . . 306 U H5 . 50351 1 41 . 1 . 1 7 7 U H6 H 1 7.814 . . 1 . . . . . 306 U H6 . 50351 1 42 . 1 . 1 7 7 U C1' C 13 93.774 . . 1 . . . . . 306 U C1' . 50351 1 43 . 1 . 1 7 7 U C5 C 13 102.426 . . 1 . . . . . 306 U C5 . 50351 1 44 . 1 . 1 7 7 U C6 C 13 141.929 . . 1 . . . . . 306 U C6 . 50351 1 45 . 1 . 1 7 7 U N1 N 15 146.748 . . 1 . . . . . 306 U N1 . 50351 1 46 . 1 . 1 7 7 U N3 N 15 162.724 . . 1 . . . . . 306 U N3 . 50351 1 47 . 1 . 1 8 8 C H5 H 1 5.596 . . 1 . . . . . 307 C H5 . 50351 1 48 . 1 . 1 8 8 C H6 H 1 7.81167 . . 1 . . . . . 307 C H6 . 50351 1 49 . 1 . 1 8 8 C H41 H 1 8.4575 . . 1 . . . . . 307 C H41 . 50351 1 50 . 1 . 1 8 8 C H42 H 1 6.92 . . 1 . . . . . 307 C H42 . 50351 1 51 . 1 . 1 8 8 C N3 N 15 198.001 . . 1 . . . . . 307 C N3 . 50351 1 52 . 1 . 1 8 8 C N4 N 15 98.7343 . . 1 . . . . . 307 C N4 . 50351 1 53 . 1 . 1 21 21 C H5 H 1 5.491 . . 1 . . . . . 320 C H5 . 50351 1 54 . 1 . 1 21 21 C H6 H 1 7.82267 . . 1 . . . . . 320 C H6 . 50351 1 55 . 1 . 1 21 21 C H41 H 1 8.554 . . 1 . . . . . 320 C H41 . 50351 1 56 . 1 . 1 21 21 C H42 H 1 6.98733 . . 1 . . . . . 320 C H42 . 50351 1 57 . 1 . 1 21 21 C N3 N 15 197.825 . . 1 . . . . . 320 C N3 . 50351 1 58 . 1 . 1 21 21 C N4 N 15 99.3 . . 1 . . . . . 320 C N4 . 50351 1 59 . 1 . 1 22 22 C H5 H 1 5.54133 . . 1 . . . . . 321 C H5 . 50351 1 60 . 1 . 1 22 22 C H6 H 1 7.82667 . . 1 . . . . . 321 C H6 . 50351 1 61 . 1 . 1 22 22 C H41 H 1 8.4364 . . 1 . . . . . 321 C H41 . 50351 1 62 . 1 . 1 22 22 C H42 H 1 6.94067 . . 1 . . . . . 321 C H42 . 50351 1 63 . 1 . 1 22 22 C N3 N 15 196.779 . . 1 . . . . . 321 C N3 . 50351 1 64 . 1 . 1 22 22 C N4 N 15 98.2448 . . 1 . . . . . 321 C N4 . 50351 1 65 . 1 . 1 23 23 U H1' H 1 5.52525 . . 1 . . . . . 322 U H1' . 50351 1 66 . 1 . 1 23 23 U H3 H 1 13.4929 . . 1 . . . . . 322 U H3 . 50351 1 67 . 1 . 1 23 23 U H5 H 1 5.4395 . . 1 . . . . . 322 U H5 . 50351 1 68 . 1 . 1 23 23 U H6 H 1 7.873 . . 1 . . . . . 322 U H6 . 50351 1 69 . 1 . 1 23 23 U C1' C 13 93.739 . . 1 . . . . . 322 U C1' . 50351 1 70 . 1 . 1 23 23 U C5 C 13 103.476 . . 1 . . . . . 322 U C5 . 50351 1 71 . 1 . 1 23 23 U C6 C 13 141.869 . . 1 . . . . . 322 U C6 . 50351 1 72 . 1 . 1 23 23 U N1 N 15 145.89 . . 1 . . . . . 322 U N1 . 50351 1 73 . 1 . 1 23 23 U N3 N 15 161.948 . . 1 . . . . . 322 U N3 . 50351 1 74 . 1 . 1 24 24 G H1 H 1 12.5177 . . 1 . . . . . 323 G H1 . 50351 1 75 . 1 . 1 24 24 G H1' H 1 5.785 . . 1 . . . . . 323 G H1' . 50351 1 76 . 1 . 1 24 24 G H8 H 1 7.7118 . . 1 . . . . . 323 G H8 . 50351 1 77 . 1 . 1 24 24 G C1' C 13 93.027 . . 1 . . . . . 323 G C1' . 50351 1 78 . 1 . 1 24 24 G C8 C 13 136.552 . . 1 . . . . . 323 G C8 . 50351 1 79 . 1 . 1 24 24 G N1 N 15 147.115 . . 1 . . . . . 323 G N1 . 50351 1 80 . 1 . 1 24 24 G N9 N 15 169.631 . . 1 . . . . . 323 G N9 . 50351 1 81 . 1 . 1 25 25 U H1' H 1 5.73433 . . 1 . . . . . 324 U H1' . 50351 1 82 . 1 . 1 25 25 U H3 H 1 14.001 . . 1 . . . . . 324 U H3 . 50351 1 83 . 1 . 1 25 25 U H5 H 1 5.19875 . . 1 . . . . . 324 U H5 . 50351 1 84 . 1 . 1 25 25 U H6 H 1 7.48914 . . 1 . . . . . 324 U H6 . 50351 1 85 . 1 . 1 25 25 U C1' C 13 90.841 . . 1 . . . . . 324 U C1' . 50351 1 86 . 1 . 1 25 25 U C5 C 13 104.321 . . 1 . . . . . 324 U C5 . 50351 1 87 . 1 . 1 25 25 U C6 C 13 141.509 . . 1 . . . . . 324 U C6 . 50351 1 88 . 1 . 1 25 25 U N1 N 15 143.742 . . 1 . . . . . 324 U N1 . 50351 1 89 . 1 . 1 25 25 U N3 N 15 161.754 . . 1 . . . . . 324 U N3 . 50351 1 90 . 1 . 1 29 29 A H1' H 1 5.86617 . . 1 . . . . . 328 A H1' . 50351 1 91 . 1 . 1 29 29 A H2 H 1 7.965 . . 1 . . . . . 328 A H2 . 50351 1 92 . 1 . 1 29 29 A H8 H 1 8.4532 . . 1 . . . . . 328 A H8 . 50351 1 93 . 1 . 1 29 29 A N1 N 15 224.173 . . 1 . . . . . 328 A N1 . 50351 1 94 . 1 . 1 29 29 A N3 N 15 214.374 . . 1 . . . . . 328 A N3 . 50351 1 95 . 1 . 1 30 30 C H1' H 1 5.714 . . 1 . . . . . 329 C H1' . 50351 1 96 . 1 . 1 30 30 C H5 H 1 5.2544 . . 1 . . . . . 329 C H5 . 50351 1 97 . 1 . 1 30 30 C H6 H 1 7.6026 . . 1 . . . . . 329 C H6 . 50351 1 98 . 1 . 1 30 30 C H41 H 1 8.256 . . 1 . . . . . 329 C H41 . 50351 1 99 . 1 . 1 30 30 C H42 H 1 6.71513 . . 1 . . . . . 329 C H42 . 50351 1 100 . 1 . 1 30 30 C N3 N 15 197.452 . . 1 . . . . . 329 C N3 . 50351 1 101 . 1 . 1 30 30 C N4 N 15 96.7195 . . 1 . . . . . 329 C N4 . 50351 1 102 . 1 . 1 31 31 A H1' H 1 5.9925 . . 1 . . . . . 330 A H1' . 50351 1 103 . 1 . 1 31 31 A H2 H 1 7.06614 . . 1 . . . . . 330 A H2 . 50351 1 104 . 1 . 1 31 31 A H8 H 1 8.018 . . 1 . . . . . 330 A H8 . 50351 1 105 . 1 . 1 31 31 A N1 N 15 220.261 . . 1 . . . . . 330 A N1 . 50351 1 106 . 1 . 1 31 31 A N3 N 15 213.58 . . 1 . . . . . 330 A N3 . 50351 1 107 . 1 . 1 32 32 G H1 H 1 12.9202 . . 1 . . . . . 331 G H1 . 50351 1 108 . 1 . 1 32 32 G H1' H 1 5.57983 . . 1 . . . . . 331 G H1' . 50351 1 109 . 1 . 1 32 32 G H8 H 1 7.14 . . 1 . . . . . 331 G H8 . 50351 1 110 . 1 . 1 32 32 G C1' C 13 92.511 . . 1 . . . . . 331 G C1' . 50351 1 111 . 1 . 1 32 32 G C8 C 13 135.579 . . 1 . . . . . 331 G C8 . 50351 1 112 . 1 . 1 32 32 G N1 N 15 147.358 . . 1 . . . . . 331 G N1 . 50351 1 113 . 1 . 1 32 32 G N9 N 15 169.118 . . 1 . . . . . 331 G N9 . 50351 1 114 . 1 . 1 33 33 G H1 H 1 13.4465 . . 1 . . . . . 332 G H1 . 50351 1 115 . 1 . 1 33 33 G H1' H 1 5.71 . . 1 . . . . . 332 G H1' . 50351 1 116 . 1 . 1 33 33 G H8 H 1 7.065 . . 1 . . . . . 332 G H8 . 50351 1 117 . 1 . 1 33 33 G C1' C 13 93.177 . . 1 . . . . . 332 G C1' . 50351 1 118 . 1 . 1 33 33 G C8 C 13 135.721 . . 1 . . . . . 332 G C8 . 50351 1 119 . 1 . 1 33 33 G N1 N 15 148.681 . . 1 . . . . . 332 G N1 . 50351 1 120 . 1 . 1 33 33 G N9 N 15 169.45 . . 1 . . . . . 332 G N9 . 50351 1 121 . 1 . 1 34 34 U H1' H 1 5.6495 . . 1 . . . . . 333 U H1' . 50351 1 122 . 1 . 1 34 34 U H3 H 1 12.0985 . . 1 . . . . . 333 U H3 . 50351 1 123 . 1 . 1 34 34 U H5 H 1 5.3588 . . 1 . . . . . 333 U H5 . 50351 1 124 . 1 . 1 34 34 U H6 H 1 7.603 . . 1 . . . . . 333 U H6 . 50351 1 125 . 1 . 1 34 34 U C1' C 13 93.33 . . 1 . . . . . 333 U C1' . 50351 1 126 . 1 . 1 34 34 U C5 C 13 104.169 . . 1 . . . . . 333 U C5 . 50351 1 127 . 1 . 1 34 34 U C6 C 13 140.716 . . 1 . . . . . 333 U C6 . 50351 1 128 . 1 . 1 34 34 U N1 N 15 145.793 . . 1 . . . . . 333 U N1 . 50351 1 129 . 1 . 1 34 34 U N3 N 15 158.882 . . 1 . . . . . 333 U N3 . 50351 1 130 . 1 . 1 39 39 G H1 H 1 12.4016 . . 1 . . . . . 338 G H1 . 50351 1 131 . 1 . 1 39 39 G H8 H 1 7.521 . . 1 . . . . . 338 G H8 . 50351 1 132 . 1 . 1 39 39 G C8 C 13 137.277 . . 1 . . . . . 338 G C8 . 50351 1 133 . 1 . 1 39 39 G N1 N 15 147.108 . . 1 . . . . . 338 G N1 . 50351 1 134 . 1 . 1 40 40 A H1' H 1 6.0092 . . 1 . . . . . 339 A H1' . 50351 1 135 . 1 . 1 40 40 A H2 H 1 7.756 . . 1 . . . . . 339 A H2 . 50351 1 136 . 1 . 1 40 40 A N1 N 15 222.646 . . 1 . . . . . 339 A N1 . 50351 1 137 . 1 . 1 40 40 A N3 N 15 212.288 . . 1 . . . . . 339 A N3 . 50351 1 138 . 1 . 1 41 41 C H1' H 1 5.3925 . . 1 . . . . . 340 C H1' . 50351 1 139 . 1 . 1 41 41 C H5 H 1 5.24933 . . 1 . . . . . 340 C H5 . 50351 1 140 . 1 . 1 41 41 C H6 H 1 7.3685 . . 1 . . . . . 340 C H6 . 50351 1 141 . 1 . 1 41 41 C H41 H 1 8.2575 . . 1 . . . . . 340 C H41 . 50351 1 142 . 1 . 1 41 41 C H42 H 1 6.84533 . . 1 . . . . . 340 C H42 . 50351 1 143 . 1 . 1 41 41 C N3 N 15 197.156 . . 1 . . . . . 340 C N3 . 50351 1 144 . 1 . 1 41 41 C N4 N 15 98.209 . . 1 . . . . . 340 C N4 . 50351 1 145 . 1 . 1 42 42 G H1 H 1 12.8978 . . 1 . . . . . 341 G H1 . 50351 1 146 . 1 . 1 42 42 G H1' H 1 5.72075 . . 1 . . . . . 341 G H1' . 50351 1 147 . 1 . 1 42 42 G H8 H 1 7.51075 . . 1 . . . . . 341 G H8 . 50351 1 148 . 1 . 1 42 42 G C1' C 13 93.145 . . 1 . . . . . 341 G C1' . 50351 1 149 . 1 . 1 42 42 G C8 C 13 136.283 . . 1 . . . . . 341 G C8 . 50351 1 150 . 1 . 1 42 42 G N1 N 15 147.524 . . 1 . . . . . 341 G N1 . 50351 1 151 . 1 . 1 42 42 G N9 N 15 168.937 . . 1 . . . . . 341 G N9 . 50351 1 152 . 1 . 1 43 43 U H1' H 1 5.5375 . . 1 . . . . . 342 U H1' . 50351 1 153 . 1 . 1 43 43 U H3 H 1 13.6288 . . 1 . . . . . 342 U H3 . 50351 1 154 . 1 . 1 43 43 U H5 H 1 5.0765 . . 1 . . . . . 342 U H5 . 50351 1 155 . 1 . 1 43 43 U H6 H 1 7.7408 . . 1 . . . . . 342 U H6 . 50351 1 156 . 1 . 1 43 43 U C1' C 13 93.519 . . 1 . . . . . 342 U C1' . 50351 1 157 . 1 . 1 43 43 U C5 C 13 103 . . 1 . . . . . 342 U C5 . 50351 1 158 . 1 . 1 43 43 U C6 C 13 141.239 . . 1 . . . . . 342 U C6 . 50351 1 159 . 1 . 1 43 43 U N1 N 15 145.666 . . 1 . . . . . 342 U N1 . 50351 1 160 . 1 . 1 43 43 U N3 N 15 162.112 . . 1 . . . . . 342 U N3 . 50351 1 161 . 1 . 1 44 44 G H1 H 1 12.5891 . . 1 . . . . . 343 G H1 . 50351 1 162 . 1 . 1 44 44 G H1' H 1 5.79917 . . 1 . . . . . 343 G H1' . 50351 1 163 . 1 . 1 44 44 G H8 H 1 7.7128 . . 1 . . . . . 343 G H8 . 50351 1 164 . 1 . 1 44 44 G C1' C 13 92.907 . . 1 . . . . . 343 G C1' . 50351 1 165 . 1 . 1 44 44 G C8 C 13 136.105 . . 1 . . . . . 343 G C8 . 50351 1 166 . 1 . 1 44 44 G N1 N 15 147.914 . . 1 . . . . . 343 G N1 . 50351 1 167 . 1 . 1 44 44 G N9 N 15 169.439 . . 1 . . . . . 343 G N9 . 50351 1 168 . 1 . 1 45 45 C H1' H 1 5.479 . . 1 . . . . . 1 C H1' . 50351 1 169 . 1 . 1 45 45 C H5 H 1 5.23667 . . 1 . . . . . 1 C H5 . 50351 1 170 . 1 . 1 45 45 C H6 H 1 7.64871 . . 1 . . . . . 1 C H6 . 50351 1 171 . 1 . 1 45 45 C H41 H 1 8.5065 . . 1 . . . . . 1 C H41 . 50351 1 172 . 1 . 1 45 45 C H42 H 1 6.87433 . . 1 . . . . . 1 C H42 . 50351 1 173 . 1 . 1 45 45 C N3 N 15 198.255 . . 1 . . . . . 1 C N3 . 50351 1 174 . 1 . 1 45 45 C N4 N 15 99.1672 . . 1 . . . . . 1 C N4 . 50351 1 175 . 1 . 1 46 46 C H1' H 1 6.105 . . 1 . . . . . 2 C H1' . 50351 1 176 . 1 . 1 46 46 C H3' H 1 4.947 . . 1 . . . . . 2 C H3' . 50351 1 177 . 1 . 1 46 46 C H5 H 1 5.546 . . 1 . . . . . 2 C H5 . 50351 1 178 . 1 . 1 46 46 C H6 H 1 7.47582 . . 1 . . . . . 2 C H6 . 50351 1 179 . 1 . 1 46 46 C H41 H 1 8.518 . . 1 . . . . . 2 C H41 . 50351 1 180 . 1 . 1 46 46 C H42 H 1 7.06175 . . 1 . . . . . 2 C H42 . 50351 1 181 . 1 . 1 46 46 C N4 N 15 99.2467 . . 1 . . . . . 2 C N4 . 50351 1 stop_ save_