################################### # 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 51158 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name assigned_chemical_shifts _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 '2D 1H-1H NOESY' . . . 51158 1 2 '2D 1H-15N HMQC' . . . 51158 1 3 '2D 1H-1H NOESY' . . . 51158 1 4 '2D 1H-13C HMQC' . . . 51158 1 5 '2D 1H-13C HMQC' . . . 51158 1 6 '2D 1H-13C HMQC' . . . 51158 1 7 '2D 1H-13C HMQC' . . . 51158 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 . . 51158 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 13.1169 0.0000 . 1 . . . . . 1 G H1 . 51158 1 2 . 1 . 1 1 1 G H1' H 1 5.7904 0.0000 . 1 . . . . . 1 G H1' . 51158 1 3 . 1 . 1 1 1 G H2' H 1 4.7261 0.0000 . 1 . . . . . 1 G H2' . 51158 1 4 . 1 . 1 1 1 G H8 H 1 8.0696 0.0000 . 1 . . . . . 1 G H8 . 51158 1 5 . 1 . 1 1 1 G C1' C 13 92.9947 0.0000 . 1 . . . . . 1 G C1' . 51158 1 6 . 1 . 1 1 1 G C8 C 13 138.6433 0.0000 . 1 . . . . . 1 G C8 . 51158 1 7 . 1 . 1 1 1 G N1 N 15 147.6098 0.0000 . 1 . . . . . 1 G N1 . 51158 1 8 . 1 . 1 2 2 C H1' H 1 5.6037 0.0000 . 1 . . . . . 2 C H1' . 51158 1 9 . 1 . 1 2 2 C H2' H 1 4.6117 0.0000 . 1 . . . . . 2 C H2' . 51158 1 10 . 1 . 1 2 2 C H5 H 1 5.3298 0.0000 . 1 . . . . . 2 C H5 . 51158 1 11 . 1 . 1 2 2 C H6 H 1 7.9580 0.0000 . 1 . . . . . 2 C H6 . 51158 1 12 . 1 . 1 2 2 C C1' C 13 93.9455 0.0000 . 1 . . . . . 2 C C1' . 51158 1 13 . 1 . 1 2 2 C C5 C 13 97.5031 0.0000 . 1 . . . . . 2 C C5 . 51158 1 14 . 1 . 1 2 2 C C6 C 13 142.2415 0.0000 . 1 . . . . . 2 C C6 . 51158 1 15 . 1 . 1 3 3 FA H1' H 1 6.2498 0.0000 . 1 . . . . . 3 FA H1' . 51158 1 16 . 1 . 1 3 3 FA H2 H 1 7.2491 0.0000 . 1 . . . . . 3 FA H2 . 51158 1 17 . 1 . 1 3 3 FA H2' H 1 5.2233 0.0000 . 1 . . . . . 3 FA H2' . 51158 1 18 . 1 . 1 3 3 FA H3' H 1 4.6458 0.0000 . 1 . . . . . 3 FA H3' . 51158 1 19 . 1 . 1 3 3 FA H8 H 1 8.0464 0.0000 . 1 . . . . . 3 FA H8 . 51158 1 20 . 1 . 1 3 3 FA C1' C 13 89.9932 0.0000 . 1 . . . . . 3 FA C1' . 51158 1 21 . 1 . 1 3 3 FA C2 C 13 153.0260 0.0000 . 1 . . . . . 3 FA C2 . 51158 1 22 . 1 . 1 3 3 FA C8 C 13 139.3852 0.0000 . 1 . . . . . 3 FA C8 . 51158 1 23 . 1 . 1 3 3 FA N1 N 15 223.0329 0.0000 . 1 . . . . . 3 FA N1 . 51158 1 24 . 1 . 1 3 3 FA N3 N 15 214.2733 0.0000 . 1 . . . . . 3 FA N3 . 51158 1 25 . 1 . 1 3 3 FA F2' F 19 -201.0757 0.0000 . 1 . . . . . 3 FA F2' . 51158 1 26 . 1 . 1 4 4 5FU H1' H 1 5.4607 0.0000 . 1 . . . . . 4 5FU H1' . 51158 1 27 . 1 . 1 4 4 5FU H2'1 H 1 4.4097 0.0000 . 1 . . . . . 4 5FU H2'1 . 51158 1 28 . 1 . 1 4 4 5FU H3 H 1 13.8986 0.0000 . 1 . . . . . 4 5FU H3 . 51158 1 29 . 1 . 1 4 4 5FU H6 H 1 7.8956 0.0000 . 1 . . . . . 4 5FU H6 . 51158 1 30 . 1 . 1 4 4 5FU C1' C 13 93.2823 0.0000 . 1 . . . . . 4 5FU C1' . 51158 1 31 . 1 . 1 4 4 5FU C6 C 13 125.9711 0.0000 . 1 . . . . . 4 5FU C6 . 51158 1 32 . 1 . 1 4 4 5FU N3 N 15 162.2220 0.0000 . 1 . . . . . 4 5FU N3 . 51158 1 33 . 1 . 1 4 4 5FU F5 F 19 -166.6476 0.0000 . 1 . . . . . 4 5FU F5 . 51158 1 34 . 1 . 1 5 5 FA H1' H 1 6.3108 0.0000 . 1 . . . . . 5 FA H1' . 51158 1 35 . 1 . 1 5 5 FA H2 H 1 6.7869 0.0000 . 1 . . . . . 5 FA H2 . 51158 1 36 . 1 . 1 5 5 FA H2' H 1 5.3299 0.0000 . 1 . . . . . 5 FA H2' . 51158 1 37 . 1 . 1 5 5 FA H3' H 1 4.8119 0.0000 . 1 . . . . . 5 FA H3' . 51158 1 38 . 1 . 1 5 5 FA H4' H 1 4.5557 0.0000 . 1 . . . . . 5 FA H4' . 51158 1 39 . 1 . 1 5 5 FA H8 H 1 8.0132 0.0000 . 1 . . . . . 5 FA H8 . 51158 1 40 . 1 . 1 5 5 FA C1' C 13 89.3696 0.0000 . 1 . . . . . 5 FA C1' . 51158 1 41 . 1 . 1 5 5 FA C2 C 13 152.8445 0.0000 . 1 . . . . . 5 FA C2 . 51158 1 42 . 1 . 1 5 5 FA C8 C 13 139.3844 0.0000 . 1 . . . . . 5 FA C8 . 51158 1 43 . 1 . 1 5 5 FA N1 N 15 221.5572 0.0000 . 1 . . . . . 5 FA N1 . 51158 1 44 . 1 . 1 5 5 FA N3 N 15 211.6494 0.0000 . 1 . . . . . 5 FA N3 . 51158 1 45 . 1 . 1 5 5 FA F2' F 19 -201.4801 0.0000 . 1 . . . . . 5 FA F2' . 51158 1 46 . 1 . 1 6 6 MRG H1 H 1 13.1187 0.0000 . 1 . . . . . 6 MRG H1 . 51158 1 47 . 1 . 1 6 6 MRG H1' H 1 5.7643 0.0000 . 1 . . . . . 6 MRG H1' . 51158 1 48 . 1 . 1 6 6 MRG H2' H 1 4.0460 0.0000 . 1 . . . . . 6 MRG H2' . 51158 1 49 . 1 . 1 6 6 MRG H8 H 1 7.2124 0.0000 . 1 . . . . . 6 MRG H8 . 51158 1 50 . 1 . 1 6 6 MRG HM'1 H 1 3.7199 0.0000 . 1 . . . . . 6 MRG HM'1 . 51158 1 51 . 1 . 1 6 6 MRG HM'2 H 1 3.7199 0.0000 . 1 . . . . . 6 MRG HM'2 . 51158 1 52 . 1 . 1 6 6 MRG HM'3 H 1 3.7199 0.0000 . 1 . . . . . 6 MRG HM'3 . 51158 1 53 . 1 . 1 6 6 MRG C1' C 13 88.2967 0.0000 . 1 . . . . . 6 MRG C1' . 51158 1 54 . 1 . 1 6 6 MRG C8 C 13 135.5013 0.0000 . 1 . . . . . 6 MRG C8 . 51158 1 55 . 1 . 1 6 6 MRG CM2 C 13 59.4475 0.0000 . 1 . . . . . 6 MRG CM2 . 51158 1 56 . 1 . 1 6 6 MRG N1 N 15 148.3526 0.0000 . 1 . . . . . 6 MRG N1 . 51158 1 57 . 1 . 1 7 7 FC H1' H 1 5.7447 0.0000 . 1 . . . . . 7 FC H1' . 51158 1 58 . 1 . 1 7 7 FC H2' H 1 5.1905 0.0000 . 1 . . . . . 7 FC H2' . 51158 1 59 . 1 . 1 7 7 FC H3' H 1 4.5563 0.0000 . 1 . . . . . 7 FC H3' . 51158 1 60 . 1 . 1 7 7 FC H5 H 1 5.1898 0.0000 . 1 . . . . . 7 FC H5 . 51158 1 61 . 1 . 1 7 7 FC H6 H 1 7.4730 0.0000 . 1 . . . . . 7 FC H6 . 51158 1 62 . 1 . 1 7 7 FC C1' C 13 90.4221 0.0000 . 1 . . . . . 7 FC C1' . 51158 1 63 . 1 . 1 7 7 FC C5 C 13 97.7733 0.0000 . 1 . . . . . 7 FC C5 . 51158 1 64 . 1 . 1 7 7 FC C6 C 13 140.3982 0.0000 . 1 . . . . . 7 FC C6 . 51158 1 65 . 1 . 1 7 7 FC F2' F 19 -200.5566 0.0000 . 1 . . . . . 7 FC F2' . 51158 1 66 . 1 . 1 8 8 MRA H1' H 1 6.1388 0.0000 . 1 . . . . . 8 MRA H1' . 51158 1 67 . 1 . 1 8 8 MRA H2 H 1 7.4060 0.0000 . 1 . . . . . 8 MRA H2 . 51158 1 68 . 1 . 1 8 8 MRA H2' H 1 4.3565 0.0000 . 1 . . . . . 8 MRA H2' . 51158 1 69 . 1 . 1 8 8 MRA H8 H 1 8.0999 0.0000 . 1 . . . . . 8 MRA H8 . 51158 1 70 . 1 . 1 8 8 MRA HM'1 H 1 3.8062 0.0000 . 1 . . . . . 8 MRA HM'1 . 51158 1 71 . 1 . 1 8 8 MRA HM'2 H 1 3.8062 0.0000 . 1 . . . . . 8 MRA HM'2 . 51158 1 72 . 1 . 1 8 8 MRA HM'3 H 1 3.8062 0.0000 . 1 . . . . . 8 MRA HM'3 . 51158 1 73 . 1 . 1 8 8 MRA C1' C 13 89.0089 0.0000 . 1 . . . . . 8 MRA C1' . 51158 1 74 . 1 . 1 8 8 MRA C2 C 13 153.5610 0.0000 . 1 . . . . . 8 MRA C2 . 51158 1 75 . 1 . 1 8 8 MRA C8 C 13 139.5652 0.0000 . 1 . . . . . 8 MRA C8 . 51158 1 76 . 1 . 1 8 8 MRA CM2 C 13 60.0580 0.0000 . 1 . . . . . 8 MRA CM2 . 51158 1 77 . 1 . 1 8 8 MRA N1 N 15 221.5849 0.0000 . 1 . . . . . 8 MRA N1 . 51158 1 78 . 1 . 1 8 8 MRA N3 N 15 216.0682 0.0000 . 1 . . . . . 8 MRA N3 . 51158 1 79 . 1 . 1 9 9 FC H1' H 1 5.6252 0.0000 . 1 . . . . . 9 FC H1' . 51158 1 80 . 1 . 1 9 9 FC H2' H 1 4.9749 0.0000 . 1 . . . . . 9 FC H2' . 51158 1 81 . 1 . 1 9 9 FC H3' H 1 4.3482 0.0000 . 1 . . . . . 9 FC H3' . 51158 1 82 . 1 . 1 9 9 FC H5 H 1 5.2901 0.0000 . 1 . . . . . 9 FC H5 . 51158 1 83 . 1 . 1 9 9 FC H6 H 1 7.2740 0.0000 . 1 . . . . . 9 FC H6 . 51158 1 84 . 1 . 1 9 9 FC C1' C 13 90.5368 0.0000 . 1 . . . . . 9 FC C1' . 51158 1 85 . 1 . 1 9 9 FC C5 C 13 98.3619 0.0000 . 1 . . . . . 9 FC C5 . 51158 1 86 . 1 . 1 9 9 FC C6 C 13 139.7233 0.0000 . 1 . . . . . 9 FC C6 . 51158 1 87 . 1 . 1 9 9 FC F2' F 19 -200.3082 0.0000 . 1 . . . . . 9 FC F2' . 51158 1 88 . 1 . 1 10 10 5FU H1' H 1 5.4848 0.0000 . 1 . . . . . 10 5FU H1' . 51158 1 89 . 1 . 1 10 10 5FU H2'1 H 1 4.6609 0.0000 . 1 . . . . . 10 5FU H2'1 . 51158 1 90 . 1 . 1 10 10 5FU H3 H 1 14.0587 0.0000 . 1 . . . . . 10 5FU H3 . 51158 1 91 . 1 . 1 10 10 5FU H6 H 1 8.0962 0.0000 . 1 . . . . . 10 5FU H6 . 51158 1 92 . 1 . 1 10 10 5FU C1' C 13 93.6389 0.0000 . 1 . . . . . 10 5FU C1' . 51158 1 93 . 1 . 1 10 10 5FU C6 C 13 126.5952 0.0000 . 1 . . . . . 10 5FU C6 . 51158 1 94 . 1 . 1 10 10 5FU N3 N 15 162.3389 0.0000 . 1 . . . . . 10 5FU N3 . 51158 1 95 . 1 . 1 10 10 5FU F5 F 19 -167.2938 0.0000 . 1 . . . . . 10 5FU F5 . 51158 1 96 . 1 . 1 11 11 FG H1 H 1 12.8001 0.0000 . 1 . . . . . 11 FG H1 . 51158 1 97 . 1 . 1 11 11 FG H1' H 1 6.1790 0.0000 . 1 . . . . . 11 FG H1' . 51158 1 98 . 1 . 1 11 11 FG H2' H 1 5.2670 0.0000 . 1 . . . . . 11 FG H2' . 51158 1 99 . 1 . 1 11 11 FG H3' H 1 4.6649 0.0000 . 1 . . . . . 11 FG H3' . 51158 1 100 . 1 . 1 11 11 FG H4' H 1 4.5592 0.0000 . 1 . . . . . 11 FG H4' . 51158 1 101 . 1 . 1 11 11 FG H8 H 1 7.7153 0.0000 . 1 . . . . . 11 FG H8 . 51158 1 102 . 1 . 1 11 11 FG C1' C 13 89.7494 0.0000 . 1 . . . . . 11 FG C1' . 51158 1 103 . 1 . 1 11 11 FG C8 C 13 136.4202 0.0000 . 1 . . . . . 11 FG C8 . 51158 1 104 . 1 . 1 11 11 FG N1 N 15 147.7074 0.0000 . 1 . . . . . 11 FG N1 . 51158 1 105 . 1 . 1 11 11 FG F2' F 19 -201.2922 0.0000 . 1 . . . . . 11 FG F2' . 51158 1 106 . 1 . 1 12 12 5FU H1' H 1 5.4156 0.0000 . 1 . . . . . 12 5FU H1' . 51158 1 107 . 1 . 1 12 12 5FU H2'1 H 1 4.4036 0.0000 . 1 . . . . . 12 5FU H2'1 . 51158 1 108 . 1 . 1 12 12 5FU H3 H 1 15.0703 0.0000 . 1 . . . . . 12 5FU H3 . 51158 1 109 . 1 . 1 12 12 5FU H3' H 1 4.4914 0.0000 . 1 . . . . . 12 5FU H3' . 51158 1 110 . 1 . 1 12 12 5FU H6 H 1 7.9635 0.0000 . 1 . . . . . 12 5FU H6 . 51158 1 111 . 1 . 1 12 12 5FU C1' C 13 93.9772 0.0000 . 1 . . . . . 12 5FU C1' . 51158 1 112 . 1 . 1 12 12 5FU C6 C 13 126.1055 0.0000 . 1 . . . . . 12 5FU C6 . 51158 1 113 . 1 . 1 12 12 5FU N3 N 15 163.3274 0.0000 . 1 . . . . . 12 5FU N3 . 51158 1 114 . 1 . 1 12 12 5FU F5 F 19 -166.2815 0.0000 . 1 . . . . . 12 5FU F5 . 51158 1 115 . 1 . 1 13 13 5FU H1' H 1 5.6126 0.0000 . 1 . . . . . 13 5FU H1' . 51158 1 116 . 1 . 1 13 13 5FU H2'1 H 1 4.4321 0.0000 . 1 . . . . . 13 5FU H2'1 . 51158 1 117 . 1 . 1 13 13 5FU H3 H 1 14.5784 0.0000 . 1 . . . . . 13 5FU H3 . 51158 1 118 . 1 . 1 13 13 5FU H3' H 1 4.5508 0.0000 . 1 . . . . . 13 5FU H3' . 51158 1 119 . 1 . 1 13 13 5FU H4' H 1 4.1223 0.0000 . 1 . . . . . 13 5FU H4' . 51158 1 120 . 1 . 1 13 13 5FU H6 H 1 8.2988 0.0000 . 1 . . . . . 13 5FU H6 . 51158 1 121 . 1 . 1 13 13 5FU C1' C 13 93.9455 0.0000 . 1 . . . . . 13 5FU C1' . 51158 1 122 . 1 . 1 13 13 5FU C6 C 13 127.8609 0.0000 . 1 . . . . . 13 5FU C6 . 51158 1 123 . 1 . 1 13 13 5FU N3 N 15 164.1841 0.0000 . 1 . . . . . 13 5FU N3 . 51158 1 124 . 1 . 1 13 13 5FU F5 F 19 -167.5408 0.0000 . 1 . . . . . 13 5FU F5 . 51158 1 125 . 1 . 1 14 14 MRC H1' H 1 5.7693 0.0000 . 1 . . . . . 14 MRC H1' . 51158 1 126 . 1 . 1 14 14 MRC H2' H 1 4.0768 0.0000 . 1 . . . . . 14 MRC H2' . 51158 1 127 . 1 . 1 14 14 MRC H5 H 1 5.6947 0.0000 . 1 . . . . . 14 MRC H5 . 51158 1 128 . 1 . 1 14 14 MRC H6 H 1 7.8850 0.0000 . 1 . . . . . 14 MRC H6 . 51158 1 129 . 1 . 1 14 14 MRC HM'1 H 1 3.6199 0.0000 . 1 . . . . . 14 MRC HM'1 . 51158 1 130 . 1 . 1 14 14 MRC HM'2 H 1 3.6199 0.0000 . 1 . . . . . 14 MRC HM'2 . 51158 1 131 . 1 . 1 14 14 MRC HM'3 H 1 3.6199 0.0000 . 1 . . . . . 14 MRC HM'3 . 51158 1 132 . 1 . 1 14 14 MRC C1' C 13 89.7467 0.0000 . 1 . . . . . 14 MRC C1' . 51158 1 133 . 1 . 1 14 14 MRC C5 C 13 97.9571 0.0000 . 1 . . . . . 14 MRC C5 . 51158 1 134 . 1 . 1 14 14 MRC C6 C 13 141.6532 0.0000 . 1 . . . . . 14 MRC C6 . 51158 1 135 . 1 . 1 14 14 MRC CM2 C 13 59.3576 0.0000 . 1 . . . . . 14 MRC CM2 . 51158 1 136 . 1 . 1 15 15 G H1 H 1 12.0901 0.0000 . 1 . . . . . 15 G H1 . 51158 1 137 . 1 . 1 15 15 G H1' H 1 5.6849 0.0000 . 1 . . . . . 15 G H1' . 51158 1 138 . 1 . 1 15 15 G H8 H 1 7.5772 0.0000 . 1 . . . . . 15 G H8 . 51158 1 139 . 1 . 1 15 15 G C1' C 13 92.1668 0.0000 . 1 . . . . . 15 G C1' . 51158 1 140 . 1 . 1 15 15 G C8 C 13 136.9412 0.0000 . 1 . . . . . 15 G C8 . 51158 1 141 . 1 . 1 15 15 G N1 N 15 146.1420 0.0000 . 1 . . . . . 15 G N1 . 51158 1 142 . 1 . 1 16 16 DT H6 H 1 7.4460 0.0000 . 1 . . . . . 16 DT H6 . 51158 1 143 . 2 . 2 1 1 C H1' H 1 5.6212 0.0000 . 1 . . . . . 18 C H1' . 51158 1 144 . 2 . 2 1 1 C H5 H 1 5.9440 0.0000 . 1 . . . . . 18 C H5 . 51158 1 145 . 2 . 2 1 1 C H6 H 1 8.0169 0.0000 . 1 . . . . . 18 C H6 . 51158 1 146 . 2 . 2 1 1 C C1' C 13 93.9455 0.0000 . 1 . . . . . 18 C C1' . 51158 1 147 . 2 . 2 1 1 C C5 C 13 98.8949 0.0000 . 1 . . . . . 18 C C5 . 51158 1 148 . 2 . 2 1 1 C C6 C 13 142.6825 0.0000 . 1 . . . . . 18 C C6 . 51158 1 149 . 2 . 2 2 2 G H1 H 1 12.0523 0.0000 . 1 . . . . . 19 G H1 . 51158 1 150 . 2 . 2 2 2 G H1' H 1 5.7661 0.0000 . 1 . . . . . 19 G H1' . 51158 1 151 . 2 . 2 2 2 G H2' H 1 4.6183 0.0000 . 1 . . . . . 19 G H2' . 51158 1 152 . 2 . 2 2 2 G H8 H 1 7.8586 0.0000 . 1 . . . . . 19 G H8 . 51158 1 153 . 2 . 2 2 2 G C1' C 13 92.8202 0.0000 . 1 . . . . . 19 G C1' . 51158 1 154 . 2 . 2 2 2 G C8 C 13 137.2302 0.0000 . 1 . . . . . 19 G C8 . 51158 1 155 . 2 . 2 2 2 G N1 N 15 146.0890 0.0000 . 1 . . . . . 19 G N1 . 51158 1 156 . 2 . 2 3 3 MRA H1' H 1 6.0639 0.0000 . 1 . . . . . 20 MRA H1' . 51158 1 157 . 2 . 2 3 3 MRA H2 H 1 7.2990 0.0000 . 1 . . . . . 20 MRA H2 . 51158 1 158 . 2 . 2 3 3 MRA H2' H 1 4.3553 0.0000 . 1 . . . . . 20 MRA H2' . 51158 1 159 . 2 . 2 3 3 MRA H8 H 1 7.9303 0.0000 . 1 . . . . . 20 MRA H8 . 51158 1 160 . 2 . 2 3 3 MRA HM'1 H 1 3.7880 0.0000 . 1 . . . . . 20 MRA HM'1 . 51158 1 161 . 2 . 2 3 3 MRA HM'2 H 1 3.7880 0.0000 . 1 . . . . . 20 MRA HM'2 . 51158 1 162 . 2 . 2 3 3 MRA HM'3 H 1 3.7880 0.0000 . 1 . . . . . 20 MRA HM'3 . 51158 1 163 . 2 . 2 3 3 MRA C1' C 13 89.1997 0.0000 . 1 . . . . . 20 MRA C1' . 51158 1 164 . 2 . 2 3 3 MRA C2 C 13 153.2355 0.0000 . 1 . . . . . 20 MRA C2 . 51158 1 165 . 2 . 2 3 3 MRA C8 C 13 140.2174 0.0000 . 1 . . . . . 20 MRA C8 . 51158 1 166 . 2 . 2 3 3 MRA CM2 C 13 60.2205 0.0000 . 1 . . . . . 20 MRA CM2 . 51158 1 167 . 2 . 2 3 3 MRA N1 N 15 218.3808 0.0000 . 1 . . . . . 20 MRA N1 . 51158 1 168 . 2 . 2 3 3 MRA N3 N 15 214.9043 0.0000 . 1 . . . . . 20 MRA N3 . 51158 1 169 . 2 . 2 4 4 FA H1' H 1 6.1198 0.0000 . 1 . . . . . 21 FA H1' . 51158 1 170 . 2 . 2 4 4 FA H2 H 1 7.6489 0.0000 . 1 . . . . . 21 FA H2 . 51158 1 171 . 2 . 2 4 4 FA H2' H 1 5.1236 0.0000 . 1 . . . . . 21 FA H2' . 51158 1 172 . 2 . 2 4 4 FA H3' H 1 4.5541 0.0000 . 1 . . . . . 21 FA H3' . 51158 1 173 . 2 . 2 4 4 FA H8 H 1 7.5134 0.0000 . 1 . . . . . 21 FA H8 . 51158 1 174 . 2 . 2 4 4 FA C1' C 13 89.3189 0.0000 . 1 . . . . . 21 FA C1' . 51158 1 175 . 2 . 2 4 4 FA C2 C 13 153.4904 0.0000 . 1 . . . . . 21 FA C2 . 51158 1 176 . 2 . 2 4 4 FA C8 C 13 137.9167 0.0000 . 1 . . . . . 21 FA C8 . 51158 1 177 . 2 . 2 4 4 FA N1 N 15 221.4250 0.0000 . 1 . . . . . 21 FA N1 . 51158 1 178 . 2 . 2 4 4 FA N3 N 15 212.7711 0.0000 . 1 . . . . . 21 FA N3 . 51158 1 179 . 2 . 2 4 4 FA F2' F 19 -200.9046 0.0000 . 1 . . . . . 21 FA F2' . 51158 1 180 . 2 . 2 5 5 MRC H1' H 1 5.6139 0.0000 . 1 . . . . . 22 MRC H1' . 51158 1 181 . 2 . 2 5 5 MRC H2' H 1 4.0802 0.0000 . 1 . . . . . 22 MRC H2' . 51158 1 182 . 2 . 2 5 5 MRC H5 H 1 5.1232 0.0000 . 1 . . . . . 22 MRC H5 . 51158 1 183 . 2 . 2 5 5 MRC H6 H 1 7.4599 0.0000 . 1 . . . . . 22 MRC H6 . 51158 1 184 . 2 . 2 5 5 MRC HM'1 H 1 3.6759 0.0000 . 1 . . . . . 22 MRC HM'1 . 51158 1 185 . 2 . 2 5 5 MRC HM'2 H 1 3.6759 0.0000 . 1 . . . . . 22 MRC HM'2 . 51158 1 186 . 2 . 2 5 5 MRC HM'3 H 1 3.6759 0.0000 . 1 . . . . . 22 MRC HM'3 . 51158 1 187 . 2 . 2 5 5 MRC C1' C 13 89.4724 0.0000 . 1 . . . . . 22 MRC C1' . 51158 1 188 . 2 . 2 5 5 MRC C5 C 13 97.4794 0.0000 . 1 . . . . . 22 MRC C5 . 51158 1 189 . 2 . 2 5 5 MRC C6 C 13 138.4534 0.0000 . 1 . . . . . 22 MRC C6 . 51158 1 190 . 2 . 2 5 5 MRC CM2 C 13 59.2154 0.0000 . 1 . . . . . 22 MRC CM2 . 51158 1 191 . 2 . 2 6 6 FA H1' H 1 6.2769 0.0000 . 1 . . . . . 23 FA H1' . 51158 1 192 . 2 . 2 6 6 FA H2 H 1 7.0871 0.0000 . 1 . . . . . 23 FA H2 . 51158 1 193 . 2 . 2 6 6 FA H2' H 1 5.4800 0.0000 . 1 . . . . . 23 FA H2' . 51158 1 194 . 2 . 2 6 6 FA H4' H 1 4.6034 0.0000 . 1 . . . . . 23 FA H4' . 51158 1 195 . 2 . 2 6 6 FA H8 H 1 7.9243 0.0000 . 1 . . . . . 23 FA H8 . 51158 1 196 . 2 . 2 6 6 FA C1' C 13 89.5729 0.0000 . 1 . . . . . 23 FA C1' . 51158 1 197 . 2 . 2 6 6 FA C2 C 13 152.6033 0.0000 . 1 . . . . . 23 FA C2 . 51158 1 198 . 2 . 2 6 6 FA C8 C 13 139.3190 0.0000 . 1 . . . . . 23 FA C8 . 51158 1 199 . 2 . 2 6 6 FA N1 N 15 219.2712 0.0000 . 1 . . . . . 23 FA N1 . 51158 1 200 . 2 . 2 6 6 FA N3 N 15 213.6660 0.0000 . 1 . . . . . 23 FA N3 . 51158 1 201 . 2 . 2 6 6 FA F2' F 19 -201.4217 0.0000 . 1 . . . . . 23 FA F2' . 51158 1 202 . 2 . 2 7 7 MRG H1 H 1 13.1567 0.0000 . 1 . . . . . 24 MRG H1 . 51158 1 203 . 2 . 2 7 7 MRG H1' H 1 5.7288 0.0000 . 1 . . . . . 24 MRG H1' . 51158 1 204 . 2 . 2 7 7 MRG H2' H 1 4.0619 0.0000 . 1 . . . . . 24 MRG H2' . 51158 1 205 . 2 . 2 7 7 MRG H3' H 1 4.4031 0.0000 . 1 . . . . . 24 MRG H3' . 51158 1 206 . 2 . 2 7 7 MRG H8 H 1 7.0835 0.0000 . 1 . . . . . 24 MRG H8 . 51158 1 207 . 2 . 2 7 7 MRG HM'1 H 1 3.7824 0.0000 . 1 . . . . . 24 MRG HM'1 . 51158 1 208 . 2 . 2 7 7 MRG HM'2 H 1 3.7824 0.0000 . 1 . . . . . 24 MRG HM'2 . 51158 1 209 . 2 . 2 7 7 MRG HM'3 H 1 3.7824 0.0000 . 1 . . . . . 24 MRG HM'3 . 51158 1 210 . 2 . 2 7 7 MRG C1' C 13 88.5669 0.0000 . 1 . . . . . 24 MRG C1' . 51158 1 211 . 2 . 2 7 7 MRG C8 C 13 135.6807 0.0000 . 1 . . . . . 24 MRG C8 . 51158 1 212 . 2 . 2 7 7 MRG CM2 C 13 59.6508 0.0000 . 1 . . . . . 24 MRG CM2 . 51158 1 213 . 2 . 2 7 7 MRG N1 N 15 147.6652 0.0000 . 1 . . . . . 24 MRG N1 . 51158 1 214 . 2 . 2 8 8 FU H1' H 1 5.8632 0.0000 . 1 . . . . . 25 FU H1' . 51158 1 215 . 2 . 2 8 8 FU H2' H 1 5.4039 0.0000 . 1 . . . . . 25 FU H2' . 51158 1 216 . 2 . 2 8 8 FU H3 H 1 13.9410 0.0000 . 1 . . . . . 25 FU H3 . 51158 1 217 . 2 . 2 8 8 FU H3' H 1 4.6378 0.0000 . 1 . . . . . 25 FU H3' . 51158 1 218 . 2 . 2 8 8 FU H5 H 1 5.0285 0.0000 . 1 . . . . . 25 FU H5 . 51158 1 219 . 2 . 2 8 8 FU H6 H 1 7.5793 0.0000 . 1 . . . . . 25 FU H6 . 51158 1 220 . 2 . 2 8 8 FU C1' C 13 90.2462 0.0000 . 1 . . . . . 25 FU C1' . 51158 1 221 . 2 . 2 8 8 FU C5 C 13 103.5988 0.0000 . 1 . . . . . 25 FU C5 . 51158 1 222 . 2 . 2 8 8 FU C6 C 13 140.5146 0.0000 . 1 . . . . . 25 FU C6 . 51158 1 223 . 2 . 2 8 8 FU N3 N 15 162.1528 0.0000 . 1 . . . . . 25 FU N3 . 51158 1 224 . 2 . 2 8 8 FU F2' F 19 -201.3283 0.0000 . 1 . . . . . 25 FU F2' . 51158 1 225 . 2 . 2 9 9 MRG H1 H 1 12.3926 0.0000 . 1 . . . . . 26 MRG H1 . 51158 1 226 . 2 . 2 9 9 MRG H1' H 1 6.0209 0.0000 . 1 . . . . . 26 MRG H1' . 51158 1 227 . 2 . 2 9 9 MRG H2' H 1 4.2497 0.0000 . 1 . . . . . 26 MRG H2' . 51158 1 228 . 2 . 2 9 9 MRG H8 H 1 7.7030 0.0000 . 1 . . . . . 26 MRG H8 . 51158 1 229 . 2 . 2 9 9 MRG HM'1 H 1 3.8175 0.0000 . 1 . . . . . 26 MRG HM'1 . 51158 1 230 . 2 . 2 9 9 MRG HM'2 H 1 3.8175 0.0000 . 1 . . . . . 26 MRG HM'2 . 51158 1 231 . 2 . 2 9 9 MRG HM'3 H 1 3.8175 0.0000 . 1 . . . . . 26 MRG HM'3 . 51158 1 232 . 2 . 2 9 9 MRG C1' C 13 88.4020 0.0000 . 1 . . . . . 26 MRG C1' . 51158 1 233 . 2 . 2 9 9 MRG C8 C 13 136.0220 0.0000 . 1 . . . . . 26 MRG C8 . 51158 1 234 . 2 . 2 9 9 MRG CM2 C 13 59.4395 0.0000 . 1 . . . . . 26 MRG CM2 . 51158 1 235 . 2 . 2 9 9 MRG N1 N 15 147.3316 0.0000 . 1 . . . . . 26 MRG N1 . 51158 1 236 . 2 . 2 10 10 FC H1' H 1 5.7805 0.0000 . 1 . . . . . 27 FC H1' . 51158 1 237 . 2 . 2 10 10 FC H2' H 1 5.1092 0.0000 . 1 . . . . . 27 FC H2' . 51158 1 238 . 2 . 2 10 10 FC H3' H 1 4.5306 0.0000 . 1 . . . . . 27 FC H3' . 51158 1 239 . 2 . 2 10 10 FC H5 H 1 5.2401 0.0000 . 1 . . . . . 27 FC H5 . 51158 1 240 . 2 . 2 10 10 FC H6 H 1 7.5911 0.0000 . 1 . . . . . 27 FC H6 . 51158 1 241 . 2 . 2 10 10 FC C1' C 13 90.4563 0.0000 . 1 . . . . . 27 FC C1' . 51158 1 242 . 2 . 2 10 10 FC C5 C 13 97.7511 0.0000 . 1 . . . . . 27 FC C5 . 51158 1 243 . 2 . 2 10 10 FC C6 C 13 140.5146 0.0000 . 1 . . . . . 27 FC C6 . 51158 1 244 . 2 . 2 10 10 FC F2' F 19 -200.1577 0.0000 . 1 . . . . . 27 FC F2' . 51158 1 245 . 2 . 2 11 11 MRU H1' H 1 5.7201 0.0000 . 1 . . . . . 28 MRU H1' . 51158 1 246 . 2 . 2 11 11 MRU H2' H 1 4.2669 0.0000 . 1 . . . . . 28 MRU H2' . 51158 1 247 . 2 . 2 11 11 MRU H3 H 1 13.0818 0.0000 . 1 . . . . . 28 MRU H3 . 51158 1 248 . 2 . 2 11 11 MRU H3' H 1 4.6604 0.0000 . 1 . . . . . 28 MRU H3' . 51158 1 249 . 2 . 2 11 11 MRU H5 H 1 5.5008 0.0000 . 1 . . . . . 28 MRU H5 . 51158 1 250 . 2 . 2 11 11 MRU H6 H 1 7.9273 0.0000 . 1 . . . . . 28 MRU H6 . 51158 1 251 . 2 . 2 11 11 MRU HM'1 H 1 3.7058 0.0000 . 1 . . . . . 28 MRU HM'1 . 51158 1 252 . 2 . 2 11 11 MRU HM'2 H 1 3.7058 0.0000 . 1 . . . . . 28 MRU HM'2 . 51158 1 253 . 2 . 2 11 11 MRU HM'3 H 1 3.7058 0.0000 . 1 . . . . . 28 MRU HM'3 . 51158 1 254 . 2 . 2 11 11 MRU C1' C 13 89.2947 0.0000 . 1 . . . . . 28 MRU C1' . 51158 1 255 . 2 . 2 11 11 MRU C5 C 13 103.8136 0.0000 . 1 . . . . . 28 MRU C5 . 51158 1 256 . 2 . 2 11 11 MRU C6 C 13 141.7421 0.0000 . 1 . . . . . 28 MRU C6 . 51158 1 257 . 2 . 2 11 11 MRU CM2 C 13 59.0209 0.0000 . 1 . . . . . 28 MRU CM2 . 51158 1 258 . 2 . 2 11 11 MRU N3 N 15 161.2582 0.0000 . 1 . . . . . 28 MRU N3 . 51158 1 259 . 2 . 2 12 12 FA H1' H 1 6.4019 0.0000 . 1 . . . . . 29 FA H1' . 51158 1 260 . 2 . 2 12 12 FA H2 H 1 7.0300 0.0000 . 1 . . . . . 29 FA H2 . 51158 1 261 . 2 . 2 12 12 FA H2' H 1 5.1634 0.0000 . 1 . . . . . 29 FA H2' . 51158 1 262 . 2 . 2 12 12 FA H3' H 1 4.8148 0.0000 . 1 . . . . . 29 FA H3' . 51158 1 263 . 2 . 2 12 12 FA H4' H 1 4.6314 0.0000 . 1 . . . . . 29 FA H4' . 51158 1 264 . 2 . 2 12 12 FA H8 H 1 8.1758 0.0000 . 1 . . . . . 29 FA H8 . 51158 1 265 . 2 . 2 12 12 FA C1' C 13 89.3417 0.0000 . 1 . . . . . 29 FA C1' . 51158 1 266 . 2 . 2 12 12 FA C2 C 13 153.1671 0.0000 . 1 . . . . . 29 FA C2 . 51158 1 267 . 2 . 2 12 12 FA C8 C 13 139.7619 0.0000 . 1 . . . . . 29 FA C8 . 51158 1 268 . 2 . 2 12 12 FA N1 N 15 221.0946 0.0000 . 1 . . . . . 29 FA N1 . 51158 1 269 . 2 . 2 12 12 FA N3 N 15 212.9591 0.0000 . 1 . . . . . 29 FA N3 . 51158 1 270 . 2 . 2 12 12 FA F2' F 19 -200.6203 0.0000 . 1 . . . . . 29 FA F2' . 51158 1 271 . 2 . 2 13 13 MRU H1' H 1 5.6504 0.0000 . 1 . . . . . 30 MRU H1' . 51158 1 272 . 2 . 2 13 13 MRU H2' H 1 4.0399 0.0000 . 1 . . . . . 30 MRU H2' . 51158 1 273 . 2 . 2 13 13 MRU H3 H 1 13.2221 0.0000 . 1 . . . . . 30 MRU H3 . 51158 1 274 . 2 . 2 13 13 MRU H5 H 1 5.1006 0.0000 . 1 . . . . . 30 MRU H5 . 51158 1 275 . 2 . 2 13 13 MRU H6 H 1 7.6531 0.0000 . 1 . . . . . 30 MRU H6 . 51158 1 276 . 2 . 2 13 13 MRU HM'1 H 1 3.6389 0.0000 . 1 . . . . . 30 MRU HM'1 . 51158 1 277 . 2 . 2 13 13 MRU HM'2 H 1 3.6389 0.0000 . 1 . . . . . 30 MRU HM'2 . 51158 1 278 . 2 . 2 13 13 MRU HM'3 H 1 3.6389 0.0000 . 1 . . . . . 30 MRU HM'3 . 51158 1 279 . 2 . 2 13 13 MRU C1' C 13 88.7933 0.0000 . 1 . . . . . 30 MRU C1' . 51158 1 280 . 2 . 2 13 13 MRU C5 C 13 103.3680 0.0000 . 1 . . . . . 30 MRU C5 . 51158 1 281 . 2 . 2 13 13 MRU C6 C 13 140.6644 0.0000 . 1 . . . . . 30 MRU C6 . 51158 1 282 . 2 . 2 13 13 MRU CM2 C 13 59.1166 0.0000 . 1 . . . . . 30 MRU CM2 . 51158 1 283 . 2 . 2 13 13 MRU N3 N 15 161.6701 0.0000 . 1 . . . . . 30 MRU N3 . 51158 1 284 . 2 . 2 14 14 FG H1 H 1 12.6231 0.0000 . 1 . . . . . 31 FG H1 . 51158 1 285 . 2 . 2 14 14 FG H1' H 1 6.1616 0.0000 . 1 . . . . . 31 FG H1' . 51158 1 286 . 2 . 2 14 14 FG H2' H 1 5.1411 0.0000 . 1 . . . . . 31 FG H2' . 51158 1 287 . 2 . 2 14 14 FG H3' H 1 4.6538 0.0000 . 1 . . . . . 31 FG H3' . 51158 1 288 . 2 . 2 14 14 FG H8 H 1 7.5889 0.0000 . 1 . . . . . 31 FG H8 . 51158 1 289 . 2 . 2 14 14 FG C1' C 13 89.5118 0.0000 . 1 . . . . . 31 FG C1' . 51158 1 290 . 2 . 2 14 14 FG C8 C 13 135.8131 0.0000 . 1 . . . . . 31 FG C8 . 51158 1 291 . 2 . 2 14 14 FG N1 N 15 147.6805 0.0000 . 1 . . . . . 31 FG N1 . 51158 1 292 . 2 . 2 14 14 FG F2' F 19 -200.2999 0.0000 . 1 . . . . . 31 FG F2' . 51158 1 293 . 2 . 2 15 15 C H1' H 1 5.5825 0.0000 . 1 . . . . . 32 C H1' . 51158 1 294 . 2 . 2 15 15 C H5 H 1 5.1898 0.0000 . 1 . . . . . 32 C H5 . 51158 1 295 . 2 . 2 15 15 C H6 H 1 7.4745 0.0000 . 1 . . . . . 32 C H6 . 51158 1 296 . 2 . 2 15 15 C C1' C 13 93.5721 0.0000 . 1 . . . . . 32 C C1' . 51158 1 297 . 2 . 2 15 15 C C5 C 13 97.7733 0.0000 . 1 . . . . . 32 C C5 . 51158 1 298 . 2 . 2 15 15 C C6 C 13 140.4683 0.0000 . 1 . . . . . 32 C C6 . 51158 1 299 . 2 . 2 16 16 DT H1' H 1 5.9545 0.0000 . 1 . . . . . 33 DT H1' . 51158 1 stop_ save_